cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate

C22H26N2O4 — CID 67052665

IUPACcyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate
SMILESNc1cccc(COC(=O)NC(Cc2ccccc2)C(=O)OC2CCCC2)c1
InChIInChI=1S/C22H26N2O4/c23-18-10-6-9-17(13-18)15-27-22(26)24-20(14-16-7-2-1-3-8-16)21(25)28-19-11-4-5-12-19/h1-3,6-10,13,19-20H,4-5,11-12,14-15,23H2,(H,24,26)
InChIKeyOQMWDIAVOYMJBA-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.59
Rot. Bonds7

About cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate

cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate (PubChem CID 67052665) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namecyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate
PubChem CID67052665
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namecyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate
SMILESNc1cccc(COC(=O)NC(Cc2ccccc2)C(=O)OC2CCCC2)c1
InChIInChI=1S/C22H26N2O4/c23-18-10-6-9-17(13-18)15-27-22(26)24-20(14-16-7-2-1-3-8-16)21(25)28-19-11-4-5-12-19/h1-3,6-10,13,19-20H,4-5,11-12,14-15,23H2,(H,24,26)
InChIKeyOQMWDIAVOYMJBA-UHFFFAOYSA-N
XLogP3.59
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl (2S)-2-[[3-[9-(ethoxyamino)-2,9-dioxononyl]phenyl]methoxycarbonylamino]-3-phenylpropanoate
CID 147763764
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
benzyl N-[(2S)-1-cyclohexyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 57308056
cyclopentyl (2S)-2-[[5-(cyclopropylmethyl)thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 166358012
methyl 3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 118308465
(2S)-3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309274
benzyl (2S)-3-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 155724687
cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
CID 177124623
(2S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18601092
methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
CID 169233072

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate?
The IUPAC name of cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate (CID 67052665) is cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate.
What is the SMILES notation for cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate?
The canonical SMILES for cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate is Nc1cccc(COC(=O)NC(Cc2ccccc2)C(=O)OC2CCCC2)c1.
What is the InChIKey of cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate?
The InChIKey is OQMWDIAVOYMJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c23-18-10-6-9-17(13-18)15-27-22(26)24-20(14-16-7-2-1-3-8-16)21(25)28-19-11-4-5-12-19/h1-3,6-10,13,19-20H,4-5,11-12,14-15,23H2,(H,24,26).
What are the key properties of cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate?
cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate has a molecular weight of 382.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate is sourced from PubChem (CID 67052665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).