benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate

C14H19NO4 — CID 144529181

IUPACbenzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CC(O)[C@@H](O)C1
InChIInChI=1S/C14H19NO4/c1-15(11-7-12(16)13(17)8-11)14(18)19-9-10-5-3-2-4-6-10/h2-6,11-13,16-17H,7-9H2,1H3/t11?,12-,13?/m0/s1
InChIKeyJIUXVQQKPKPWJV-CPCZMJQVSA-N
MW265.31 g/mol
LogP1.14
Rot. Bonds3

About benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate

benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate (PubChem CID 144529181) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
PubChem CID144529181
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebenzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CC(O)[C@@H](O)C1
InChIInChI=1S/C14H19NO4/c1-15(11-7-12(16)13(17)8-11)14(18)19-9-10-5-3-2-4-6-10/h2-6,11-13,16-17H,7-9H2,1H3/t11?,12-,13?/m0/s1
InChIKeyJIUXVQQKPKPWJV-CPCZMJQVSA-N
XLogP1.14
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
CID 129231388
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-N-methylcarbamate
CID 90917833
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 171702913
benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate
CID 171756290

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate (CID 144529181) is benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CC(O)[C@@H](O)C1.
What is the InChIKey of benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate?
The InChIKey is JIUXVQQKPKPWJV-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(11-7-12(16)13(17)8-11)14(18)19-9-10-5-3-2-4-6-10/h2-6,11-13,16-17H,7-9H2,1H3/t11?,12-,13?/m0/s1.
What are the key properties of benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate?
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate has a molecular weight of 265.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate is sourced from PubChem (CID 144529181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).