4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid

C13H18N2O3 — CID 81073197

IUPAC4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)[C@H](N)c1ccccc1)CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(7-11(16)17)8-15-13(18)12(14)10-5-3-2-4-6-10/h2-6,9,12H,7-8,14H2,1H3,(H,15,18)(H,16,17)/t9?,12-/m1/s1
InChIKeyGUUGLSCWBIKZQA-FFFFSGIJSA-N
MW250.30 g/mol
LogP0.91
Rot. Bonds6

About 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid

4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid (PubChem CID 81073197) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
PubChem CID81073197
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)[C@H](N)c1ccccc1)CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(7-11(16)17)8-15-13(18)12(14)10-5-3-2-4-6-10/h2-6,9,12H,7-8,14H2,1H3,(H,15,18)(H,16,17)/t9?,12-/m1/s1
InChIKeyGUUGLSCWBIKZQA-FFFFSGIJSA-N
XLogP0.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
3-[[[(2S)-2-amino-2-phenylacetyl]amino]methyl]pentanoic acid
CID 103870660
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
CID 65224075
4-[(2-amino-4-phenylbutanoyl)amino]-3-methylbutanoic acid
CID 114929069
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide
CID 119319309
(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide
CID 104898061
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid (CID 81073197) is 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid is CC(CNC(=O)[C@H](N)c1ccccc1)CC(=O)O.
What is the InChIKey of 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid?
The InChIKey is GUUGLSCWBIKZQA-FFFFSGIJSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(7-11(16)17)8-15-13(18)12(14)10-5-3-2-4-6-10/h2-6,9,12H,7-8,14H2,1H3,(H,15,18)(H,16,17)/t9?,12-/m1/s1.
What are the key properties of 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid?
4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 81073197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).