2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid

C12H14Cl2N2O3 — CID 107569132

IUPAC2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
SMILESCCC[C@@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-2-3-9(15)11(17)16-10-7(12(18)19)4-6(13)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyMOBCCONZUFDGOL-SECBINFHSA-N
MW305.16 g/mol
LogP2.76
Rot. Bonds5

About 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid

2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid (PubChem CID 107569132) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
PubChem CID107569132
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
SMILESCCC[C@@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-2-3-9(15)11(17)16-10-7(12(18)19)4-6(13)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyMOBCCONZUFDGOL-SECBINFHSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-Dichloroanilino)acetyl]amino]benzoic acid
CID 11302201
2-[[2-(2-Acetyl-4-chloroanilino)acetyl]amino]benzoic acid
CID 16221215
2-[[2-(2-Acetyl-4-chloro-5-fluoroanilino)acetyl]amino]benzoic acid
CID 16221219
2-Acetamido-5-chlorobenzoic acid
CID 346199
N-(2,6-Dichlorophenyl)anthranilic acid
CID 151812
6,8-Dichloro-2-hydroxy-4-quinolinecarboxylic acid
CID 2726231
3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid
CID 1712517
2-{5-[N-(2-Carboxy-4-chlorophenyl)carbamoyl]pentanoylamino}-5-chlorobenzoic acid
CID 470563
2-{4-[N-(2-Carboxy-4-chlorophenyl)carbamoyl]butanoylamino}-5-chlorobenzoic acid
CID 470575
2-{6-[N-(2-Carboxy-4-chlorophenyl)carbamoyl]hexanoylamino}-5-chlorobenzoic acid
CID 470576
2-[[2-(4-Chloro-2-propanoylanilino)acetyl]amino]benzoic acid
CID 16221498
Methyl 3,5-dichloro-2-(2-chloroacetamido)benzoate
CID 25323874

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid?
The IUPAC name of 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid (CID 107569132) is 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid is CCC[C@@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid?
The InChIKey is MOBCCONZUFDGOL-SECBINFHSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-2-3-9(15)11(17)16-10-7(12(18)19)4-6(13)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)(H,18,19)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid?
2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 107569132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).