(2R)-2-cyano-2-phenylacetic acid

C9H7NO2 — CID 6999087

IUPAC(2R)-2-cyano-2-phenylacetic acid
SMILESN#C[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H7NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,(H,11,12)/t8-/m0/s1
InChIKeyDKFPBXQCCCIWLC-QMMMGPOBSA-N
MW161.16 g/mol
LogP1.38
Rot. Bonds2

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

(2R)-2-cyano-2-phenylacetic acid (PubChem CID 6999087) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2R)-2-cyano-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-cyano-2-phenylacetic acid
PubChem CID6999087
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name(2R)-2-cyano-2-phenylacetic acid
SMILESN#C[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H7NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,(H,11,12)/t8-/m0/s1
InChIKeyDKFPBXQCCCIWLC-QMMMGPOBSA-N
XLogP1.38
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-3-oxo-2-phenylpentanenitrile
CID 92981009
(2R,3E,4E,5S)-3,4-bis(hydroxyimino)-2,5-diphenylhexanedinitrile
CID 136716145
2-cyano-3,3-diphenylpropanoic acid
CID 15246893
5-fluoro-4,4-bis(fluoromethyl)-3-oxo-2-phenylpentanenitrile
CID 91417540
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
4-oxo-2,3-diphenylbut-3-enenitrile
CID 123689910
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
3-(azepan-1-yl)-3-oxo-2-phenylpropanenitrile
CID 62877694
3-cyclohexyl-3-oxo-2-phenylpropanenitrile
CID 43156648
2-cyano-2-(4-phenylphenyl)acetamide
CID 22361186
2-cyano-3-phenylbutanedioic acid
CID 24998756
3-(2-methylsulfanylphenyl)-3-oxo-2-phenylpropanenitrile
CID 113224931

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-2-phenylacetic acid?
The IUPAC name of (2R)-2-cyano-2-phenylacetic acid (CID 6999087) is (2R)-2-cyano-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-cyano-2-phenylacetic acid?
The canonical SMILES for (2R)-2-cyano-2-phenylacetic acid is N#C[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-cyano-2-phenylacetic acid?
The InChIKey is DKFPBXQCCCIWLC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H7NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,(H,11,12)/t8-/m0/s1.
What are the key properties of (2R)-2-cyano-2-phenylacetic acid?
(2R)-2-cyano-2-phenylacetic acid has a molecular weight of 161.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-2-phenylacetic acid is sourced from PubChem (CID 6999087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).