(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid

C12H14Cl2N2O3 — CID 107564962

IUPAC(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-2-3-9(12(18)19)16-11(17)6-4-7(13)10(15)8(14)5-6/h4-5,9H,2-3,15H2,1H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeySWMVAJBABAQXDI-SECBINFHSA-N
MW305.16 g/mol
LogP2.56
Rot. Bonds5

About (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid

(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid (PubChem CID 107564962) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
PubChem CID107564962
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-2-3-9(12(18)19)16-11(17)6-4-7(13)10(15)8(14)5-6/h4-5,9H,2-3,15H2,1H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeySWMVAJBABAQXDI-SECBINFHSA-N
XLogP2.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104909263
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
(2S)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832858
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
2-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]butanoic acid
CID 82833378
methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
CID 122135859
2-[(4-chloro-3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43630484
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
2-[(3,5-dichlorobenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43098910
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid (CID 107564962) is (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid?
The InChIKey is SWMVAJBABAQXDI-SECBINFHSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-2-3-9(12(18)19)16-11(17)6-4-7(13)10(15)8(14)5-6/h4-5,9H,2-3,15H2,1H3,(H,16,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid?
(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid is sourced from PubChem (CID 107564962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).