(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid

C11H15NO3 — CID 121267296

IUPAC(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
SMILESC[C@](N)(COCc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-11(12,10(13)14)8-15-7-9-5-3-2-4-6-9/h2-6H,7-8,12H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyPBDZAPFTBGZVAQ-NSHDSACASA-N
MW209.25 g/mol
LogP1.01
Rot. Bonds5

About (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid

(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid (PubChem CID 121267296) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
PubChem CID121267296
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
SMILESC[C@](N)(COCc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-11(12,10(13)14)8-15-7-9-5-3-2-4-6-9/h2-6H,7-8,12H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyPBDZAPFTBGZVAQ-NSHDSACASA-N
XLogP1.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic 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

2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
CID 114987450
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxymethyl)propanoic acid
CID 22557178
(2-methyl-1-phenylmethoxypropan-2-yl) carbonochloridate
CID 19779089
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
1-bromo-3,3-dimethyl-4-phenylmethoxybutan-2-one
CID 134460062
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
acetic acid;phenylmethoxymethylbenzene
CID 175214238
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid?
The IUPAC name of (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid (CID 121267296) is (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid?
The canonical SMILES for (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid is C[C@](N)(COCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid?
The InChIKey is PBDZAPFTBGZVAQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(12,10(13)14)8-15-7-9-5-3-2-4-6-9/h2-6H,7-8,12H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid?
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 121267296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).