2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid

C16H20N2O4 — CID 120522605

IUPAC2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)CCC2CCC2)cc1
InChIInChI=1S/C16H20N2O4/c19-14(9-4-11-2-1-3-11)18-13-7-5-12(6-8-13)16(22)17-10-15(20)21/h5-8,11H,1-4,9-10H2,(H,17,22)(H,18,19)(H,20,21)
InChIKeyHTHNFRWBDVWQCP-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.02
Rot. Bonds7

About 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid

2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid (PubChem CID 120522605) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
PubChem CID120522605
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)CCC2CCC2)cc1
InChIInChI=1S/C16H20N2O4/c19-14(9-4-11-2-1-3-11)18-13-7-5-12(6-8-13)16(22)17-10-15(20)21/h5-8,11H,1-4,9-10H2,(H,17,22)(H,18,19)(H,20,21)
InChIKeyHTHNFRWBDVWQCP-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043
4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 46803503
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
CID 119220363
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
CID 108796240
2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
CID 119220498
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid (CID 120522605) is 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)CCC2CCC2)cc1.
What is the InChIKey of 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid?
The InChIKey is HTHNFRWBDVWQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(9-4-11-2-1-3-11)18-13-7-5-12(6-8-13)16(22)17-10-15(20)21/h5-8,11H,1-4,9-10H2,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid?
2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 120522605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).