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2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid

C18H24N2O4 — CID 119217757

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(CCC(=O)NCC(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-13-3-5-14(6-4-13)7-8-15(21)19-12-16(22)20-18(9-2-10-18)11-17(23)24/h3-6H,2,7-12H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyNZRCAGXOWVKIIW-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.56
Rot. Bonds8

About 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119217757) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
PubChem CID119217757
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(CCC(=O)NCC(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-13-3-5-14(6-4-13)7-8-15(21)19-12-16(22)20-18(9-2-10-18)11-17(23)24/h3-6H,2,7-12H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyNZRCAGXOWVKIIW-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid (CID 119217757) is 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid is Cc1ccc(CCC(=O)NCC(=O)NC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is NZRCAGXOWVKIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-3-5-14(6-4-13)7-8-15(21)19-12-16(22)20-18(9-2-10-18)11-17(23)24/h3-6H,2,7-12H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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