methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate

C30H42ClN3O6 — CID 175380095

IUPACmethyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate
SMILESCOC(=O)C(CC1CC2(CCCCC2)NC1=O)NC(=O)C(CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C30H42ClN3O6/c1-39-28(37)25(17-22-18-30(34-26(22)35)13-6-3-7-14-30)32-27(36)24(16-20-9-4-2-5-10-20)33-29(38)40-19-21-11-8-12-23(31)15-21/h8,11-12,15,20,22,24-25H,2-7,9-10,13-14,16-19H2,1H3,(H,32,36)(H,33,38)(H,34,35)
InChIKeyYLRPETUEPHHHNE-UHFFFAOYSA-N
MW576.13 g/mol
LogP4.79
Rot. Bonds10

About methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate

methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate (PubChem CID 175380095) has the molecular formula C30H42ClN3O6 and a molecular weight of 576.13 g/mol. Its IUPAC name is methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate
PubChem CID175380095
Molecular FormulaC30H42ClN3O6
Molecular Weight576.13 g/mol
Exact Mass575.28
IUPAC Namemethyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate
SMILESCOC(=O)C(CC1CC2(CCCCC2)NC1=O)NC(=O)C(CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C30H42ClN3O6/c1-39-28(37)25(17-22-18-30(34-26(22)35)13-6-3-7-14-30)32-27(36)24(16-20-9-4-2-5-10-20)33-29(38)40-19-21-11-8-12-23(31)15-21/h8,11-12,15,20,22,24-25H,2-7,9-10,13-14,16-19H2,1H3,(H,32,36)(H,33,38)(H,34,35)
InChIKeyYLRPETUEPHHHNE-UHFFFAOYSA-N
XLogP4.79
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.13
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)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

methyl 2-[[(2S)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate
CID 156884266
methyl 2-[[(2S)-2-[(3-chlorophenyl)methoxycarbonylamino]sulfanyl-3-cyclohexylpropanoyl]amino]-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate
CID 156884347
(3-chlorophenyl)methyl N-[(2S)-3-cyclohexyl-1-[[1-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 156884012
methyl 2-[[(2S)-2-[[2-[(3-chlorophenyl)methyl]cyclopentyl]oxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoate
CID 156883607
(4S)-4-[[(2S)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 156858318
[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 156884159
(3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 156883725
methyl (2S)-2-[[(2S)-2-[[2-(3-chlorophenyl)-1-phenylethoxy]carbonylamino]-3-cyclohexylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 156884137
[1-(3-chlorophenyl)cyclopropyl]methyl N-[(2S)-1-[[(1S)-1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate;sulfane
CID 167606838
(3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate
CID 156883629
1-chloro-3-[(2-methoxycyclopentyl)methyl]benzene;N-(cyclohexylmethyl)formamide;ethane;methyl 2-acetamido-3-(2-oxo-1,8-diazaspiro[4.5]decan-3-yl)propanoate
CID 156884306
methyl (2S)-2-[[(2S)-2-[[1,2-bis(3-chlorophenyl)-2-methylpropoxy]carbonylamino]-3-cyclohexylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 156884301

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate?
The IUPAC name of methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate (CID 175380095) is methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate.
What is the SMILES notation for methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate?
The canonical SMILES for methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate is COC(=O)C(CC1CC2(CCCCC2)NC1=O)NC(=O)C(CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1.
What is the InChIKey of methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate?
The InChIKey is YLRPETUEPHHHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42ClN3O6/c1-39-28(37)25(17-22-18-30(34-26(22)35)13-6-3-7-14-30)32-27(36)24(16-20-9-4-2-5-10-20)33-29(38)40-19-21-11-8-12-23(31)15-21/h8,11-12,15,20,22,24-25H,2-7,9-10,13-14,16-19H2,1H3,(H,32,36)(H,33,38)(H,34,35).
What are the key properties of methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate?
methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate has a molecular weight of 576.13 g/mol, XLogP of 4.79, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate is sourced from PubChem (CID 175380095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).