3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid

C12H16N2O4 — CID 66174922

IUPAC3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C(N)c1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(18,11(16)17)7-14-10(15)9(13)8-5-3-2-4-6-8/h2-6,9,18H,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyNRQDGAFOVOLOGT-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.36
Rot. Bonds5

About 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66174922) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66174922
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C(N)c1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(18,11(16)17)7-14-10(15)9(13)8-5-3-2-4-6-8/h2-6,9,18H,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyNRQDGAFOVOLOGT-UHFFFAOYSA-N
XLogP-0.36
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
CID 113264228
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-phenylacetamide
CID 106148425
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174600
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide
CID 119345468
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide;hydrochloride
CID 119345467
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide
CID 119308090
(2R)-2-amino-N-(3-methoxy-2,2-dimethylpropyl)-2-phenylacetamide
CID 56861248
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylacetamide
CID 106254706

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66174922) is 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)C(N)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is NRQDGAFOVOLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(18,11(16)17)7-14-10(15)9(13)8-5-3-2-4-6-8/h2-6,9,18H,7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66174922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).