methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate

C16H22N2O4 — CID 103393109

IUPACmethyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H22N2O4/c1-11(15(19)21-2)17-13-8-14(9-13)18-16(20)22-10-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,20)/t11-,13?,14?/m0/s1
InChIKeyDXLJNSMNZYNODB-XGNXJENSSA-N
MW306.36 g/mol
LogP1.59
Rot. Bonds6

About methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate

methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate (PubChem CID 103393109) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
PubChem CID103393109
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H22N2O4/c1-11(15(19)21-2)17-13-8-14(9-13)18-16(20)22-10-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,20)/t11-,13?,14?/m0/s1
InChIKeyDXLJNSMNZYNODB-XGNXJENSSA-N
XLogP1.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 103393723
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 103392923
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858
benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393607
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate (CID 103393109) is methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate is COC(=O)[C@H](C)NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate?
The InChIKey is DXLJNSMNZYNODB-XGNXJENSSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(15(19)21-2)17-13-8-14(9-13)18-16(20)22-10-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,20)/t11-,13?,14?/m0/s1.
What are the key properties of methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate?
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate has a molecular weight of 306.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate is sourced from PubChem (CID 103393109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).