2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid

C17H23NO3 — CID 62586316

IUPAC2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
SMILESCC(NC(=O)C1CCCCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-17(16(20)21,14-11-7-4-8-12-14)18-15(19)13-9-5-2-3-6-10-13/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyBAFOGIPRTRFTAZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.07
Rot. Bonds4

About 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid

2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid (PubChem CID 62586316) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
PubChem CID62586316
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
SMILESCC(NC(=O)C1CCCCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-17(16(20)21,14-11-7-4-8-12-14)18-15(19)13-9-5-2-3-6-10-13/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyBAFOGIPRTRFTAZ-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175398
N-(1-bromo-2-phenylpropan-2-yl)cycloheptanecarboxamide
CID 105060197
2-phenyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913849
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 103870867
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480
cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
CID 161352808
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
CID 136580049
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700
N-tert-butylcyclooctanecarboxamide
CID 65022804

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid?
The IUPAC name of 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid (CID 62586316) is 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid?
The canonical SMILES for 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid is CC(NC(=O)C1CCCCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid?
The InChIKey is BAFOGIPRTRFTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(16(20)21,14-11-7-4-8-12-14)18-15(19)13-9-5-2-3-6-10-13/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid?
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid has a molecular weight of 289.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62586316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).