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

C14H15Cl2NO3 — CID 95242853

IUPACmethyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO3/c1-7(14(19)20-2)17-13(18)10-6-9(10)8-3-4-11(15)12(16)5-8/h3-5,7,9-10H,6H2,1-2H3,(H,17,18)/t7-,9-,10-/m0/s1
InChIKeyCDAIOFMWOLYXKD-HGNGGELXSA-N
MW316.18 g/mol
LogP2.77
Rot. Bonds4

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

methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate (PubChem CID 95242853) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
PubChem CID95242853
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Namemethyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO3/c1-7(14(19)20-2)17-13(18)10-6-9(10)8-3-4-11(15)12(16)5-8/h3-5,7,9-10H,6H2,1-2H3,(H,17,18)/t7-,9-,10-/m0/s1
InChIKeyCDAIOFMWOLYXKD-HGNGGELXSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 124711462
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
CID 111480579
2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid
CID 119199691
2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 110003025
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate (CID 95242853) is methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The InChIKey is CDAIOFMWOLYXKD-HGNGGELXSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-7(14(19)20-2)17-13(18)10-6-9(10)8-3-4-11(15)12(16)5-8/h3-5,7,9-10H,6H2,1-2H3,(H,17,18)/t7-,9-,10-/m0/s1.
What are the key properties of methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate has a molecular weight of 316.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate is sourced from PubChem (CID 95242853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).