methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate

C14H15Cl2NO3 — CID 124711462

IUPACmethyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2NO3/c1-7(14(19)20-2)17-13(18)12-6-11(12)8-3-9(15)5-10(16)4-8/h3-5,7,11-12H,6H2,1-2H3,(H,17,18)/t7-,11-,12-/m0/s1
InChIKeyKPDFRFABODOISC-QILRFPOHSA-N
MW316.18 g/mol
LogP2.77
Rot. Bonds4

About methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate

methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate (PubChem CID 124711462) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
PubChem CID124711462
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Namemethyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2NO3/c1-7(14(19)20-2)17-13(18)12-6-11(12)8-3-9(15)5-10(16)4-8/h3-5,7,11-12H,6H2,1-2H3,(H,17,18)/t7-,11-,12-/m0/s1
InChIKeyKPDFRFABODOISC-QILRFPOHSA-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-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95242853
methyl (2S)-2-[[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoate
CID 96564557
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396
2-(3-chlorophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 49157849
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 96564542
methyl (2S)-2-(3,5-dichloroanilino)propanoate
CID 26599088
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 96564552
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 96564716
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate (CID 124711462) is methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The InChIKey is KPDFRFABODOISC-QILRFPOHSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-7(14(19)20-2)17-13(18)12-6-11(12)8-3-9(15)5-10(16)4-8/h3-5,7,11-12H,6H2,1-2H3,(H,17,18)/t7-,11-,12-/m0/s1.
What are the key properties of methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate?
methyl (2S)-2-[[(1S,2R)-2-(3,5-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-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate is sourced from PubChem (CID 124711462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).