methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate

C15H18ClNO3 — CID 38590811

IUPACmethyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1Cl
InChIInChI=1S/C15H18ClNO3/c1-9-7-11(9)15(19)17-13(8-14(18)20-2)10-5-3-4-6-12(10)16/h3-6,9,11,13H,7-8H2,1-2H3,(H,17,19)/t9-,11-,13-/m0/s1
InChIKeyNQLNDMWCFJULIF-GAFUQQFSSA-N
MW295.77 g/mol
LogP2.72
Rot. Bonds5

About methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate

methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate (PubChem CID 38590811) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
PubChem CID38590811
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1Cl
InChIInChI=1S/C15H18ClNO3/c1-9-7-11(9)15(19)17-13(8-14(18)20-2)10-5-3-4-6-12(10)16/h3-6,9,11,13H,7-8H2,1-2H3,(H,17,19)/t9-,11-,13-/m0/s1
InChIKeyNQLNDMWCFJULIF-GAFUQQFSSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate with MolForge

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Related Compounds

(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124736619
methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 86903328
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
methyl 3-[(2-methylcyclopropanecarbonyl)amino]-3-(4-methylphenyl)propanoate
CID 42920466
methyl (3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-3-(4-methylphenyl)propanoate
CID 124822180
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
methyl (3S)-3-(2-chlorophenyl)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]propanoate
CID 38591349
methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate
CID 100667157
methyl 3-[(2-bromobenzoyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256783
methyl 3-(2-chlorophenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 58143336
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55474994

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate?
The IUPAC name of methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate (CID 38590811) is methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate?
The canonical SMILES for methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate is COC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1Cl.
What is the InChIKey of methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate?
The InChIKey is NQLNDMWCFJULIF-GAFUQQFSSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9-7-11(9)15(19)17-13(8-14(18)20-2)10-5-3-4-6-12(10)16/h3-6,9,11,13H,7-8H2,1-2H3,(H,17,19)/t9-,11-,13-/m0/s1.
What are the key properties of methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate?
methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate has a molecular weight of 295.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate is sourced from PubChem (CID 38590811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).