(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid

C14H19NO3 — CID 61144889

IUPAC(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
SMILESCCCC(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-7-10(2)13(16)15-12(14(17)18)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3,(H,15,16)(H,17,18)/t10?,12-/m1/s1
InChIKeyXQCOUHMIYDPDPO-TVKKRMFBSA-N
MW249.31 g/mol
LogP2.36
Rot. Bonds6

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

(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid (PubChem CID 61144889) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
PubChem CID61144889
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
SMILESCCCC(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-7-10(2)13(16)15-12(14(17)18)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3,(H,15,16)(H,17,18)/t10?,12-/m1/s1
InChIKeyXQCOUHMIYDPDPO-TVKKRMFBSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245
2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid
CID 82031123
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-[[(2S)-2-(deuterioamino)propanoyl]amino]-2-phenylacetic acid
CID 142690110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid (CID 61144889) is (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid is CCCC(C)C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid?
The InChIKey is XQCOUHMIYDPDPO-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-7-10(2)13(16)15-12(14(17)18)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3,(H,15,16)(H,17,18)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid?
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid is sourced from PubChem (CID 61144889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).