(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid

C13H18N2O3 — CID 62845633

IUPAC(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid
SMILESCNC(C)(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-13(2,14-3)12(18)15-10(11(16)17)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyZJZOKZCAMZJJLP-SNVBAGLBSA-N
MW250.30 g/mol
LogP0.93
Rot. Bonds5

About (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid

(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid (PubChem CID 62845633) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid
PubChem CID62845633
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid
SMILESCNC(C)(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-13(2,14-3)12(18)15-10(11(16)17)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyZJZOKZCAMZJJLP-SNVBAGLBSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 62836836
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
CID 61161130
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
2-[[2-[benzoyl-[(1S)-1-phenylethyl]amino]-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 102038984
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid (CID 62845633) is (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid is CNC(C)(C)C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid?
The InChIKey is ZJZOKZCAMZJJLP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,14-3)12(18)15-10(11(16)17)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid has a molecular weight of 250.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 62845633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).