4-[butanoyl(2-carboxypropyl)amino]benzoic acid

C15H19NO5 — CID 82320832

IUPAC4-[butanoyl(2-carboxypropyl)amino]benzoic acid
SMILESCCCC(=O)N(CC(C)C(=O)O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-3-4-13(17)16(9-10(2)14(18)19)12-7-5-11(6-8-12)15(20)21/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDNVYNTUKLPHDSS-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.24
Rot. Bonds7

About 4-[butanoyl(2-carboxypropyl)amino]benzoic acid

4-[butanoyl(2-carboxypropyl)amino]benzoic acid (PubChem CID 82320832) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[butanoyl(2-carboxypropyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[butanoyl(2-carboxypropyl)amino]benzoic acid
PubChem CID82320832
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[butanoyl(2-carboxypropyl)amino]benzoic acid
SMILESCCCC(=O)N(CC(C)C(=O)O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-3-4-13(17)16(9-10(2)14(18)19)12-7-5-11(6-8-12)15(20)21/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDNVYNTUKLPHDSS-UHFFFAOYSA-N
XLogP2.24
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-N-pentanoylanilino)-2-methylpropanoic acid
CID 82320934
3-[1,3-benzodioxol-5-yl(butanoyl)amino]-2-methylpropanoic acid
CID 82320810
3-[4-(dimethylamino)-N-propanoylanilino]-2-methylpropanoic acid
CID 82320709
3-(N-butanoyl-2,4-dimethylanilino)-2-methylpropanoic acid
CID 82320825
N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylbutanamide;hydrochloride
CID 71579957
3-[N-(2,2-dimethylpropanoyl)-4-fluoroanilino]-2-methylpropanoic acid
CID 82321113
4-[[2-carboxypropyl(methyl)amino]methyl]benzoic acid
CID 82328751
3-(N-acetyl-4-bromoanilino)-2-methylpropanoic acid
CID 82320539
4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
4-[2-hydroxyethyl(3-propoxypropanoyl)amino]benzoic acid
CID 62715793
3-(4-ethoxycarbonyl-N-propylanilino)-2-methylpropanoic acid
CID 82317833
2-methyl-3-[N-(2-methylpropanoyl)-4-propan-2-ylanilino]propanoic acid
CID 82321032

Frequently Asked Questions

What is the IUPAC name of 4-[butanoyl(2-carboxypropyl)amino]benzoic acid?
The IUPAC name of 4-[butanoyl(2-carboxypropyl)amino]benzoic acid (CID 82320832) is 4-[butanoyl(2-carboxypropyl)amino]benzoic acid.
What is the SMILES notation for 4-[butanoyl(2-carboxypropyl)amino]benzoic acid?
The canonical SMILES for 4-[butanoyl(2-carboxypropyl)amino]benzoic acid is CCCC(=O)N(CC(C)C(=O)O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[butanoyl(2-carboxypropyl)amino]benzoic acid?
The InChIKey is DNVYNTUKLPHDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-4-13(17)16(9-10(2)14(18)19)12-7-5-11(6-8-12)15(20)21/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[butanoyl(2-carboxypropyl)amino]benzoic acid?
4-[butanoyl(2-carboxypropyl)amino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butanoyl(2-carboxypropyl)amino]benzoic acid is sourced from PubChem (CID 82320832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).