(S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine

CAS

929048-08-8

Catalog Number

ACM929048088

Category

Other Products

Molecular Weight

334.41

Molecular Formula

C₁₈H₂₆N₂O₄

MSDS COA Spec Sheet

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Specification

Synonyms

(2S)-[[[(PHENYLMETHOXY)CARBONYL]AMINO]METHYL]-1-PYRROLIDINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER;(S)-(N-BOC-PYRROLIDIN-2-YL)-N-CBZ-METHANAMINE;(S)-2-[[(Benzyloxycarbonyl)amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester

Density

1.137

What is the molecular formula of (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine?

The molecular formula is C18H26N2O4.

What is the molecular weight of (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine?

The molecular weight is 334.4 g/mol.

What is the IUPAC name of (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine?

The IUPAC name is tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate.

What is the InChI of (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine?

The InChI is InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-7-10-15(20)12-19-16(21)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m0/s1.

What is the InChIKey of (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine?

The InChIKey is MCFFCQNSBLVXKS-HNNXBMFYSA-N.

What is the Canonical SMILES of (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine?

The Canonical SMILES is CC(C)(C)OC(=O)N1CCCC1CNC(=O)OCC2=CC=CC=C2.

How many hydrogen bond donor counts does (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine?

The topological polar surface area is 67.9 Å².

How many rotatable bond counts does (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine have?

It has 7 rotatable bond counts.

Is the compound (S)-(N-Boc-pyrrolidin-2-yl)-N-cbz-methanamine canonicalized?

Yes, the compound is canonicalized.