CAS 220497-66-5|(1S,3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid|(1S,3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid|(1S,3R)-Fmoc-3-ami...

General Information

Structure

Molecular Formula

C₂₁H₂₁NO₄

Molecular Mass

351.39574

Exact Mass

351.14705816

Charge

InChI

InChI=1S/C21H21NO4/c23-20(24)13-9-10-14(11-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,22,25)(H,23,24)/t13-,14+/m0/s1

InChIKey

BHDMUBZVWRSQOT-UONOGXRCSA-N

Canonic Smiles

O=C(N[C@@H]1CC[C@@H](C1)C(=O)O)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

C1[C@@H](CC[C@@H]1C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2

Calculated Properties

JChem

Acid pKa

4.056263

H Acceptors

H Donor

LogD (pH = 5.5)

2.120471

LogD (pH = 7.4)

0.45010078

Log P

3.576016

Molar Refractivity

96.6517

Polarizability

38.790695

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

(1S,3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid

IUPAC Traditional name

(1S,3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid

Synonyms

(1S,3R)-Fmoc-3-aminocyclopentane-1 carboxylic acid(1S,3R)-(+)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid(1S,3R)-(+)-3-Aminocyclopentane-1-carboxylic acid, N-FMOC protected(1S,3R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclopentanecarboxylic acid

Names and Identifiers

Registration numbers

CAS Number

220497-66-5

MDL Number

MFCD01311758MFCD01311757

PubChem SID

161001759

PubChem CID

7006552

Registration numbers

Properties