methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate

C14H15Cl2NO3 — CID 95245166

IUPACmethyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO3/c1-20-13(18)4-5-17-14(19)10-7-9(10)8-2-3-11(15)12(16)6-8/h2-3,6,9-10H,4-5,7H2,1H3,(H,17,19)/t9-,10-/m0/s1
InChIKeyUEJJWPZMBWSHBG-UWVGGRQHSA-N
MW316.18 g/mol
LogP2.78
Rot. Bonds5

About methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate

methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate (PubChem CID 95245166) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
PubChem CID95245166
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Namemethyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO3/c1-20-13(18)4-5-17-14(19)10-7-9(10)8-2-3-11(15)12(16)6-8/h2-3,6,9-10H,4-5,7H2,1H3,(H,17,19)/t9-,10-/m0/s1
InChIKeyUEJJWPZMBWSHBG-UWVGGRQHSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]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

methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95271586
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95243220
methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95242853
2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
CID 111480579
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 95279473
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 110003025

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate (CID 95245166) is methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate is COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The InChIKey is UEJJWPZMBWSHBG-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-20-13(18)4-5-17-14(19)10-7-9(10)8-2-3-11(15)12(16)6-8/h2-3,6,9-10H,4-5,7H2,1H3,(H,17,19)/t9-,10-/m0/s1.
What are the key properties of methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate has a molecular weight of 316.18 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate is sourced from PubChem (CID 95245166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).