3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid

C15H19NO3 — CID 120700700

IUPAC3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)C1CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-15(14(18)19,12-8-3-2-4-9-12)10-16-13(17)11-6-5-7-11/h2-4,8-9,11H,5-7,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyWOSANUMNYWZLBN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.95
Rot. Bonds5

About 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid

3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid (PubChem CID 120700700) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
PubChem CID120700700
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)C1CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-15(14(18)19,12-8-3-2-4-9-12)10-16-13(17)11-6-5-7-11/h2-4,8-9,11H,5-7,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyWOSANUMNYWZLBN-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-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120701285
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700845
3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700962
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid
CID 120701566
N-[2-hydroxy-2-(4-phenylphenyl)propyl]cyclohexanecarboxamide
CID 90497506
3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700737
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide
CID 120593686
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
2-methyl-3-(3-methylsulfanylpropanoylamino)-2-phenylpropanoic acid
CID 120701360
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid (CID 120700700) is 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid is CC(CNC(=O)C1CCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid?
The InChIKey is WOSANUMNYWZLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(14(18)19,12-8-3-2-4-9-12)10-16-13(17)11-6-5-7-11/h2-4,8-9,11H,5-7,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid?
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic 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 3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120700700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).