methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate

C16H19Cl2NO4 — CID 70875789

IUPACmethyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)OC1CCCC1
InChIInChI=1S/C16H19Cl2NO4/c1-22-15(20)14(8-10-6-7-11(17)9-13(10)18)19-16(21)23-12-4-2-3-5-12/h6-7,9,12,14H,2-5,8H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyDTJIKRGPMHLWJN-CQSZACIVSA-N
MW360.24 g/mol
LogP3.75
Rot. Bonds5

About methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate

methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate (PubChem CID 70875789) has the molecular formula C16H19Cl2NO4 and a molecular weight of 360.24 g/mol. Its IUPAC name is methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
PubChem CID70875789
Molecular FormulaC16H19Cl2NO4
Molecular Weight360.24 g/mol
Exact Mass359.07
IUPAC Namemethyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)OC1CCCC1
InChIInChI=1S/C16H19Cl2NO4/c1-22-15(20)14(8-10-6-7-11(17)9-13(10)18)19-16(21)23-12-4-2-3-5-12/h6-7,9,12,14H,2-5,8H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyDTJIKRGPMHLWJN-CQSZACIVSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)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 (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate
CID 59505092
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate
CID 134591238
methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate
CID 71035559
methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate
CID 59504973
cyclopentyl N-[3-(2,4-dichlorophenyl)-1-[4-[3-[2-(dimethylamino)butoxy]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 75217687
(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid
CID 58473863
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682
N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
CID 142918333
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
methyl (2S)-3-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171746547
tert-butyl N-[(2R)-1-(3-cyclopropylazetidin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate
CID 172836802
methyl 2-[(2,4-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3111811

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate (CID 70875789) is methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate is COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)OC1CCCC1.
What is the InChIKey of methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate?
The InChIKey is DTJIKRGPMHLWJN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19Cl2NO4/c1-22-15(20)14(8-10-6-7-11(17)9-13(10)18)19-16(21)23-12-4-2-3-5-12/h6-7,9,12,14H,2-5,8H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate?
methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate has a molecular weight of 360.24 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate is sourced from PubChem (CID 70875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).