benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate

C13H18N2O3 — CID 168763151

IUPACbenzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
SMILESNC1CC(O)(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H18N2O3/c14-11-6-13(17,7-11)9-15-12(16)18-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9,14H2,(H,15,16)
InChIKeyLATDRZCHXAVCAJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.76
Rot. Bonds4

About benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate

benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate (PubChem CID 168763151) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
PubChem CID168763151
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
SMILESNC1CC(O)(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H18N2O3/c14-11-6-13(17,7-11)9-15-12(16)18-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9,14H2,(H,15,16)
InChIKeyLATDRZCHXAVCAJ-UHFFFAOYSA-N
XLogP0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate
CID 167714380
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 171157569
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate?
The IUPAC name of benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate (CID 168763151) is benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate is NC1CC(O)(CNC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate?
The InChIKey is LATDRZCHXAVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-11-6-13(17,7-11)9-15-12(16)18-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9,14H2,(H,15,16).
What are the key properties of benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate?
benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate is sourced from PubChem (CID 168763151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).