1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

C15H18N2O4 — CID 81156249

IUPAC1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(=O)c1ccccc1NC(=O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-5-2-3-6-12(11)17-13(19)9-16-15(14(20)21)7-4-8-15/h2-3,5-6,16H,4,7-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyHPDBNRHBAADAGH-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.42
Rot. Bonds6

About 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81156249) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81156249
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(=O)c1ccccc1NC(=O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-5-2-3-6-12(11)17-13(19)9-16-15(14(20)21)7-4-8-15/h2-3,5-6,16H,4,7-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyHPDBNRHBAADAGH-UHFFFAOYSA-N
XLogP1.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81168189
N-(2-acetylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520067
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269
N-(2-acetylphenyl)-2-(4-phenylanilino)acetamide
CID 39912347
1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid
CID 81155992
2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894869
1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167198
N-(2-acetylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393487
1-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81166941
N-(2-acetylphenyl)pyrrolidine-1-carboxamide
CID 112724111

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (CID 81156249) is 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is CC(=O)c1ccccc1NC(=O)CNC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is HPDBNRHBAADAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)11-5-2-3-6-12(11)17-13(19)9-16-15(14(20)21)7-4-8-15/h2-3,5-6,16H,4,7-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81156249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).