benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate|Benzyl N-[(1R,3S)-3-(hydroxymethyl)-cyclopentyl]carbamate|benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate|(1R,3S)-1-Amino-3-(hydroxy...

General Information

Structure

Molecular Formula

C₁₄H₁₉NO₃

Molecular Mass

249.30556

Exact Mass

249.13649347

Charge

InChI

InChI=1S/C14H19NO3/c16-9-12-6-7-13(8-12)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)/t12-,13+/m0/s1

InChIKey

FDKXYQLCKKQFKQ-QWHCGFSZSA-N

Canonic Smiles

OC[C@H]1CC[C@H](C1)NC(=O)OCc1ccccc1

Isomeric Smiles

C(=O)(N[C@H]1C[C@H](CC1)CO)OCc1ccccc1

Calculated Properties

JChem

Acid pKa

14.912788

H Acceptors

H Donor

LogD (pH = 5.5)

1.8201481

LogD (pH = 7.4)

1.8201481

Log P

1.8201481

Molar Refractivity

68.4123

Polarizability

26.851816

Polar Surface Area

58.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate

IUPAC Traditional name

benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate

Synonyms

Benzyl N-[(1R,3S)-3-(hydroxymethyl)-cyclopentyl]carbamate(1R,3S)-1-Amino-3-(hydroxymethyl)cyclopentane, N-CBZ protected[(1S,3R)-3-{[(Benzyloxy)carbonyl]amino}cyclopent-1-yl]methanolBenzyl [(1R,3S)-3-(hydroxymethyl)cyclopent-1-yl]carbamatebenzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate

Names and Identifiers

Registration numbers

PubChem SID

162031692

PubChem CID

66545223

MDL Number

MFCD22126135

Registration numbers

Properties

Safety Information

MSDS Link