3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid

C14H19NO3 — CID 99849415

IUPAC3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
SMILESC[C@H](Cc1ccccc1)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C14H19NO3/c1-11(10-12-6-4-3-5-7-12)14(18)15(2)9-8-13(16)17/h3-7,11H,8-10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyCOASAOULBWCAMI-LLVKDONJSA-N
MW249.31 g/mol
LogP1.80
Rot. Bonds6

About 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid

3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid (PubChem CID 99849415) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
PubChem CID99849415
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
SMILESC[C@H](Cc1ccccc1)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C14H19NO3/c1-11(10-12-6-4-3-5-7-12)14(18)15(2)9-8-13(16)17/h3-7,11H,8-10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyCOASAOULBWCAMI-LLVKDONJSA-N
XLogP1.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
3-[(2-benzylsulfanyl-3-methylbutanoyl)-methylamino]propanoic acid
CID 119232958
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid
CID 122005203
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623
6-[(2-amino-3-phenylpropanoyl)-methylamino]hexanoic acid
CID 70550691
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
3-[(1-cyclopropyl-2-phenylethyl)carbamoyl-methylamino]propanoic acid
CID 122002942
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid (CID 99849415) is 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid is C[C@H](Cc1ccccc1)C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid?
The InChIKey is COASAOULBWCAMI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(10-12-6-4-3-5-7-12)14(18)15(2)9-8-13(16)17/h3-7,11H,8-10H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid?
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 99849415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).