3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid

C17H23NO3 — CID 166262478

IUPAC3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid
SMILESCCCc1ccc(C(=O)NC2CC(CCC(=O)O)C2)cc1
InChIInChI=1S/C17H23NO3/c1-2-3-12-4-7-14(8-5-12)17(21)18-15-10-13(11-15)6-9-16(19)20/h4-5,7-8,13,15H,2-3,6,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyKVCAMEXPTGJFGL-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.01
Rot. Bonds7

About 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid

3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid (PubChem CID 166262478) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid
PubChem CID166262478
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid
SMILESCCCc1ccc(C(=O)NC2CC(CCC(=O)O)C2)cc1
InChIInChI=1S/C17H23NO3/c1-2-3-12-4-7-14(8-5-12)17(21)18-15-10-13(11-15)6-9-16(19)20/h4-5,7-8,13,15H,2-3,6,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyKVCAMEXPTGJFGL-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-cyclopentylbenzamide
CID 60674795
4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748627
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
(2S,4R)-N-ethyl-1-(3-methylbut-2-enyl)-4-[(4-propylbenzoyl)amino]pyrrolidine-2-carboxamide
CID 72865853
3-[[4-[N-(4-propylbenzoyl)carbamimidoyl]phenyl]methylamino]propanoic acid
CID 140527007
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
N-pentyl-4-propylbenzamide
CID 70894308
4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
CID 115163721
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
2-[2-[(4-propylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 119241511

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid?
The IUPAC name of 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid (CID 166262478) is 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid?
The canonical SMILES for 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid is CCCc1ccc(C(=O)NC2CC(CCC(=O)O)C2)cc1.
What is the InChIKey of 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid?
The InChIKey is KVCAMEXPTGJFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-3-12-4-7-14(8-5-12)17(21)18-15-10-13(11-15)6-9-16(19)20/h4-5,7-8,13,15H,2-3,6,9-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid?
3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid is sourced from PubChem (CID 166262478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).