3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid

C15H19NO3 — CID 60831633

IUPAC3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
SMILESCc1ccccc1N(CCC(=O)O)C(=O)C1CCC1
InChIInChI=1S/C15H19NO3/c1-11-5-2-3-8-13(11)16(10-9-14(17)18)15(19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,17,18)
InChIKeyKHJZHZMJMBIBOM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.60
Rot. Bonds5

About 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid

3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid (PubChem CID 60831633) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
PubChem CID60831633
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
SMILESCc1ccccc1N(CCC(=O)O)C(=O)C1CCC1
InChIInChI=1S/C15H19NO3/c1-11-5-2-3-8-13(11)16(10-9-14(17)18)15(19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,17,18)
InChIKeyKHJZHZMJMBIBOM-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-(cyclohexanecarbonyl)-2,5-dimethylanilino]propanoic acid
CID 82321395
3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332714
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoic acid
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3-[N-(cyclohexylmethyl)-2-methylanilino]propanoic acid
CID 60838743
3-[2-methyl-N-(oxan-3-yl)anilino]propanoic acid
CID 65059140
3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid
CID 62590215
3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid
CID 55096511
3-(N-cyclopentylsulfonyl-2-methylanilino)propanoic acid
CID 105360734
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
3-(N-(2,4-diamino-4-oxobutanoyl)-2-methylanilino)propanoic acid
CID 61162424

Frequently Asked Questions

What is the IUPAC name of 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid?
The IUPAC name of 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid (CID 60831633) is 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid.
What is the SMILES notation for 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid?
The canonical SMILES for 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid is Cc1ccccc1N(CCC(=O)O)C(=O)C1CCC1.
What is the InChIKey of 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid?
The InChIKey is KHJZHZMJMBIBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-5-2-3-8-13(11)16(10-9-14(17)18)15(19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid?
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid is sourced from PubChem (CID 60831633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).