2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid

C15H19NO3 — CID 55105160

IUPAC2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-11(13(17)18)10-16-14(19)15(8-5-9-15)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyDHQDGBJIZLMBFM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.95
Rot. Bonds5

About 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid

2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid (PubChem CID 55105160) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
PubChem CID55105160
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-11(13(17)18)10-16-14(19)15(8-5-9-15)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyDHQDGBJIZLMBFM-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119236921
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 168737013
N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide
CID 113273675

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid (CID 55105160) is 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid is CC(CNC(=O)C1(c2ccccc2)CCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid?
The InChIKey is DHQDGBJIZLMBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(13(17)18)10-16-14(19)15(8-5-9-15)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid?
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 55105160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).