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

C14H17NO3 — CID 43355416

IUPAC2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C14H17NO3/c1-10(12(16)17)15-13(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyDBGHJOZQCVYJEQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.70
Rot. Bonds4

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

2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid (PubChem CID 43355416) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
PubChem CID43355416
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C14H17NO3/c1-10(12(16)17)15-13(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyDBGHJOZQCVYJEQ-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119369696
(2S)-3-methyl-2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 61173965
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
N-(1-amino-1-sulfanylidenepropan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 62881236
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid (CID 43355416) is 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid is CC(NC(=O)C1(c2ccccc2)CCC1)C(=O)O.
What is the InChIKey of 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid?
The InChIKey is DBGHJOZQCVYJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(12(16)17)15-13(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid?
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 43355416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).