4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid

C13H18N2O4 — CID 107144725

IUPAC4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
SMILESCCCC[C@H](N)C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H18N2O4/c1-2-3-4-10(14)12(17)15-8-5-6-9(13(18)19)11(16)7-8/h5-7,10,16H,2-4,14H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyYWHBMIHQFZMOAN-JTQLQIEISA-N
MW266.30 g/mol
LogP1.55
Rot. Bonds6

About 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid

4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid (PubChem CID 107144725) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
PubChem CID107144725
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
SMILESCCCC[C@H](N)C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H18N2O4/c1-2-3-4-10(14)12(17)15-8-5-6-9(13(18)19)11(16)7-8/h5-7,10,16H,2-4,14H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyYWHBMIHQFZMOAN-JTQLQIEISA-N
XLogP1.55
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275
(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 107145713
2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 64782247
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
5-(2-aminohexanoylamino)benzene-1,3-dicarboxylic acid
CID 61160490
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid (CID 107144725) is 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid is CCCC[C@H](N)C(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is YWHBMIHQFZMOAN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-3-4-10(14)12(17)15-8-5-6-9(13(18)19)11(16)7-8/h5-7,10,16H,2-4,14H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1.
What are the key properties of 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid?
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 107144725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).