(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid

C11H14N2O3 — CID 59166508

IUPAC(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
SMILESCN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c1-13(2)11(16)12-9(10(14)15)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyNLPIZOSHELQGNL-SECBINFHSA-N
MW222.24 g/mol
LogP1.08
Rot. Bonds3

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

(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid (PubChem CID 59166508) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
PubChem CID59166508
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
SMILESCN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c1-13(2)11(16)12-9(10(14)15)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyNLPIZOSHELQGNL-SECBINFHSA-N
XLogP1.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzhydryl-1,1-dimethylurea
CID 2228466
2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate
CID 90967259
2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
CID 54019383
2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444788
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444799
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61198379
2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444954
2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444742
(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 104899000
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid (CID 59166508) is (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid is CN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is NLPIZOSHELQGNL-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(2)11(16)12-9(10(14)15)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid?
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 222.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 59166508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).