methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid

C14H18N2O4 — CID 156506450

IUPACmethyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid
SMILESCN(C(=O)O)C1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H18N2O4/c1-16(14(18)19)12-7-11(8-12)15-13(17)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyUQGVIWAPOQXQGK-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.05
Rot. Bonds4

About methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid

methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid (PubChem CID 156506450) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid
PubChem CID156506450
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid
SMILESCN(C(=O)O)C1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H18N2O4/c1-16(14(18)19)12-7-11(8-12)15-13(17)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyUQGVIWAPOQXQGK-UHFFFAOYSA-N
XLogP2.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
[(1R,2R,3R,5R)-2,3-dihydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl] acetate
CID 167728386
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid?
The IUPAC name of methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid (CID 156506450) is methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid.
What is the SMILES notation for methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid?
The canonical SMILES for methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid is CN(C(=O)O)C1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid?
The InChIKey is UQGVIWAPOQXQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(14(18)19)12-7-11(8-12)15-13(17)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid?
methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid has a molecular weight of 278.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid is sourced from PubChem (CID 156506450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).