4-(2-aminopentanoylamino)-2-chlorobenzoic acid

C12H15ClN2O3 — CID 61399026

IUPAC4-(2-aminopentanoylamino)-2-chlorobenzoic acid
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-2-3-10(14)11(16)15-7-4-5-8(12(17)18)9(13)6-7/h4-6,10H,2-3,14H2,1H3,(H,15,16)(H,17,18)
InChIKeySSUQTQMNBXGRJW-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.10
Rot. Bonds5

About 4-(2-aminopentanoylamino)-2-chlorobenzoic acid

4-(2-aminopentanoylamino)-2-chlorobenzoic acid (PubChem CID 61399026) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(2-aminopentanoylamino)-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-(2-aminopentanoylamino)-2-chlorobenzoic acid
PubChem CID61399026
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-(2-aminopentanoylamino)-2-chlorobenzoic acid
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-2-3-10(14)11(16)15-7-4-5-8(12(17)18)9(13)6-7/h4-6,10H,2-3,14H2,1H3,(H,15,16)(H,17,18)
InChIKeySSUQTQMNBXGRJW-UHFFFAOYSA-N
XLogP2.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
2-amino-N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 119283316
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-chlorobenzoic acid
CID 61399074
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoylamino)-2-chlorobenzoic acid?
The IUPAC name of 4-(2-aminopentanoylamino)-2-chlorobenzoic acid (CID 61399026) is 4-(2-aminopentanoylamino)-2-chlorobenzoic acid.
What is the SMILES notation for 4-(2-aminopentanoylamino)-2-chlorobenzoic acid?
The canonical SMILES for 4-(2-aminopentanoylamino)-2-chlorobenzoic acid is CCCC(N)C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 4-(2-aminopentanoylamino)-2-chlorobenzoic acid?
The InChIKey is SSUQTQMNBXGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-3-10(14)11(16)15-7-4-5-8(12(17)18)9(13)6-7/h4-6,10H,2-3,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2-aminopentanoylamino)-2-chlorobenzoic acid?
4-(2-aminopentanoylamino)-2-chlorobenzoic acid has a molecular weight of 270.72 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoylamino)-2-chlorobenzoic acid is sourced from PubChem (CID 61399026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).