(2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid

C13H15Cl2NO3 — CID 61155869

IUPAC(2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-7(2)3-11(13(18)19)16-12(17)8-4-9(14)6-10(15)5-8/h4-7,11H,3H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyGNBPSVLSVUQGRD-NSHDSACASA-N
MW304.17 g/mol
LogP3.22
Rot. Bonds5

About (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid

(2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 61155869) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID61155869
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name(2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-7(2)3-11(13(18)19)16-12(17)8-4-9(14)6-10(15)5-8/h4-7,11H,3H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyGNBPSVLSVUQGRD-NSHDSACASA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Chlorobenzoyl)glycine
CID 26009
(2S)-3-methyl-2-(phenylformamido)butanoic acid
CID 730290
N-benzoyl-D-alanine
CID 91514
2-[(3-Chlorophenyl)formamido]acetic acid
CID 448
SORT-PGRN interaction inhibitor 3
CID 153835400
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
Methyl 2-[(3-chlorophenyl)carbonylamino]acetate
CID 669189
2-((4-Chlorophenyl)formamido)-3-methylbutanoic acid
CID 2770855
2-((4-Chlorophenyl)formamido)-4-methylpentanoic acid
CID 4994387
3-Methyl-2-[(4-methylphenyl)formamido]butanoic acid
CID 2941839
N-benzoyl-L-alanine
CID 709778
Acetic acid, 2-((2-chlorobenzoyl)amino)-
CID 177756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid (CID 61155869) is (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is GNBPSVLSVUQGRD-NSHDSACASA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-7(2)3-11(13(18)19)16-12(17)8-4-9(14)6-10(15)5-8/h4-7,11H,3H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
(2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 304.17 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61155869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).