(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid

C13H13Cl2NO3 — CID 119238549

IUPAC(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)C1CC1c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C13H13Cl2NO3/c1-6(13(18)19)16-12(17)9-5-8(9)7-3-2-4-10(14)11(7)15/h2-4,6,8-9H,5H2,1H3,(H,16,17)(H,18,19)/t6-,8?,9?/m0/s1
InChIKeyJTSWOUDXYCDUQG-GVWIPJJGSA-N
MW302.16 g/mol
LogP2.69
Rot. Bonds4

About (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid

(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 119238549) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID119238549
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)C1CC1c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C13H13Cl2NO3/c1-6(13(18)19)16-12(17)9-5-8(9)7-3-2-4-10(14)11(7)15/h2-4,6,8-9H,5H2,1H3,(H,16,17)(H,18,19)/t6-,8?,9?/m0/s1
InChIKeyJTSWOUDXYCDUQG-GVWIPJJGSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119360646
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
2-(2,3-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide
CID 120650745
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704676
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188260
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119362074
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
CID 119213489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 119238549) is (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid is C[C@H](NC(=O)C1CC1c1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is JTSWOUDXYCDUQG-GVWIPJJGSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-6(13(18)19)16-12(17)9-5-8(9)7-3-2-4-10(14)11(7)15/h2-4,6,8-9H,5H2,1H3,(H,16,17)(H,18,19)/t6-,8?,9?/m0/s1.
What are the key properties of (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 302.16 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119238549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).