2-methyl-3-(phenylmethoxyamino)propanoic acid

C11H15NO3 — CID 21019710

IUPAC2-methyl-3-(phenylmethoxyamino)propanoic acid
SMILESCC(CNOCc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-9(11(13)14)7-12-15-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,13,14)
InChIKeyONWVJZPMKNVIKY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.43
Rot. Bonds6

About 2-methyl-3-(phenylmethoxyamino)propanoic acid

2-methyl-3-(phenylmethoxyamino)propanoic acid (PubChem CID 21019710) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-3-(phenylmethoxyamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(phenylmethoxyamino)propanoic acid
PubChem CID21019710
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-methyl-3-(phenylmethoxyamino)propanoic acid
SMILESCC(CNOCc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-9(11(13)14)7-12-15-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,13,14)
InChIKeyONWVJZPMKNVIKY-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3S)-3-methyl-2-(methylamino)-4-(phenylmethoxyamino)butanoate
CID 91500277
3,3-dimethyl-1-(phenylmethoxyamino)butan-2-ol
CID 130501755
2,2-difluoro-N-phenylmethoxyethanamine
CID 64974244
[4-methyl-3-[(phenylmethoxyamino)methyl]pentyl] benzoate
CID 175121795
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974421
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
5-amino-2-methyl-N-phenylmethoxypentanamide
CID 104685201
3-methyl-1-phenylmethoxybutan-2-one
CID 22953611
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide
CID 64974525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(phenylmethoxyamino)propanoic acid?
The IUPAC name of 2-methyl-3-(phenylmethoxyamino)propanoic acid (CID 21019710) is 2-methyl-3-(phenylmethoxyamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(phenylmethoxyamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(phenylmethoxyamino)propanoic acid is CC(CNOCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-3-(phenylmethoxyamino)propanoic acid?
The InChIKey is ONWVJZPMKNVIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(11(13)14)7-12-15-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-(phenylmethoxyamino)propanoic acid?
2-methyl-3-(phenylmethoxyamino)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(phenylmethoxyamino)propanoic acid is sourced from PubChem (CID 21019710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).