benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate

C14H20N2O3 — CID 130143236

IUPACbenzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
SMILESNC1CC(NC(=O)OCc2ccccc2)CCC1O
InChIInChI=1S/C14H20N2O3/c15-12-8-11(6-7-13(12)17)16-14(18)19-9-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9,15H2,(H,16,18)
InChIKeyCXZKOMFAYIZRPQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.15
Rot. Bonds3

About benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate

benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate (PubChem CID 130143236) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
PubChem CID130143236
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
SMILESNC1CC(NC(=O)OCc2ccccc2)CCC1O
InChIInChI=1S/C14H20N2O3/c15-12-8-11(6-7-13(12)17)16-14(18)19-9-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9,15H2,(H,16,18)
InChIKeyCXZKOMFAYIZRPQ-UHFFFAOYSA-N
XLogP1.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-(3-azido-4-hydroxycyclohexyl)carbamate
CID 171775824
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate?
The IUPAC name of benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate (CID 130143236) is benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate?
The canonical SMILES for benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate is NC1CC(NC(=O)OCc2ccccc2)CCC1O.
What is the InChIKey of benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate?
The InChIKey is CXZKOMFAYIZRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-8-11(6-7-13(12)17)16-14(18)19-9-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9,15H2,(H,16,18).
What are the key properties of benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate?
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 130143236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).