2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid

C18H24N2O4 — CID 119220510

IUPAC2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)CCCC2CCCC2)cc1
InChIInChI=1S/C18H24N2O4/c21-16(7-3-6-13-4-1-2-5-13)20-15-10-8-14(9-11-15)18(24)19-12-17(22)23/h8-11,13H,1-7,12H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyNIHMDIZSCKLWQS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.80
Rot. Bonds8

About 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid

2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid (PubChem CID 119220510) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
PubChem CID119220510
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)CCCC2CCCC2)cc1
InChIInChI=1S/C18H24N2O4/c21-16(7-3-6-13-4-1-2-5-13)20-15-10-8-14(9-11-15)18(24)19-12-17(22)23/h8-11,13H,1-7,12H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyNIHMDIZSCKLWQS-UHFFFAOYSA-N
XLogP2.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
CID 120522605
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
CID 108796240
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043
4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 46803503
2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
CID 119220363
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
CID 119220498

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid (CID 119220510) is 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)CCCC2CCCC2)cc1.
What is the InChIKey of 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid?
The InChIKey is NIHMDIZSCKLWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(7-3-6-13-4-1-2-5-13)20-15-10-8-14(9-11-15)18(24)19-12-17(22)23/h8-11,13H,1-7,12H2,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid?
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 119220510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).