2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid

C13H18N2O3 — CID 61265643

IUPAC2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
SMILESCC(C)(N)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-13(2,14)12(18)15-10(11(16)17)8-9-6-4-3-5-7-9/h3-7,10H,8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyRTTDGHDPKJOPFJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.54
Rot. Bonds5

About 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid

2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid (PubChem CID 61265643) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
PubChem CID61265643
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
SMILESCC(C)(N)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-13(2,14)12(18)15-10(11(16)17)8-9-6-4-3-5-7-9/h3-7,10H,8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyRTTDGHDPKJOPFJ-UHFFFAOYSA-N
XLogP0.54
TPSA92.42 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 ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid
CID 103868984
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 62836653
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-phenylpropanoic acid
CID 115432257
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
2-[(2,2-difluoro-3-methoxypropanoyl)amino]-3-phenylpropanoic acid
CID 167835410
2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid
CID 82031626
(4S)-4-[(2-amino-2-methylpropanoyl)amino]-5-[[2-[[(2S,3R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 175780245
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
2-(3-methylpentan-3-ylcarbamoylamino)-3-phenylpropanoic acid
CID 106330586

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid (CID 61265643) is 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid is CC(C)(N)C(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid?
The InChIKey is RTTDGHDPKJOPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,14)12(18)15-10(11(16)17)8-9-6-4-3-5-7-9/h3-7,10H,8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid?
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 61265643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).