(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid

C17H23NO3 — CID 65018923

IUPAC(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCCCCC1
InChIInChI=1S/C17H23NO3/c19-16(14-11-5-2-1-3-6-12-14)18-15(17(20)21)13-9-7-4-8-10-13/h4,7-10,14-15H,1-3,5-6,11-12H2,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyHGBZNNFDQGICCR-OAHLLOKOSA-N
MW289.37 g/mol
LogP3.29
Rot. Bonds4

About (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid

(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid (PubChem CID 65018923) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
PubChem CID65018923
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCCCCC1
InChIInChI=1S/C17H23NO3/c19-16(14-11-5-2-1-3-6-12-14)18-15(17(20)21)13-9-7-4-8-10-13/h4,7-10,14-15H,1-3,5-6,11-12H2,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyHGBZNNFDQGICCR-OAHLLOKOSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
(2S)-2-phenyl-2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetic acid
CID 119372712
2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
CID 82090476
N-(2-oxo-1-phenylpropyl)cyclopropanecarboxamide
CID 134269746
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985
N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid (CID 65018923) is (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCCCCC1.
What is the InChIKey of (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid?
The InChIKey is HGBZNNFDQGICCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(14-11-5-2-1-3-6-12-14)18-15(17(20)21)13-9-7-4-8-10-13/h4,7-10,14-15H,1-3,5-6,11-12H2,(H,18,19)(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid?
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid has a molecular weight of 289.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid is sourced from PubChem (CID 65018923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).