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

C13H15Cl2NO3 — CID 78975640

IUPAC(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-7(2)5-11(13(18)19)16-12(17)8-3-4-9(14)10(15)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyQRVLKIDNTKEYPI-LLVKDONJSA-N
MW304.17 g/mol
LogP3.22
Rot. Bonds5

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

(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 78975640) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID78975640
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-7(2)5-11(13(18)19)16-12(17)8-3-4-9(14)10(15)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyQRVLKIDNTKEYPI-LLVKDONJSA-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

(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 59813104
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
(2S)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832858
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722
2-[(3,4-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 152540759
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylpentanoic acid
CID 31315997
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid (CID 78975640) is (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is QRVLKIDNTKEYPI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-7(2)5-11(13(18)19)16-12(17)8-3-4-9(14)10(15)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3,4-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 (2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 78975640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).