2-(phenylmethoxyamino)butanoic acid

C11H15NO3 — CID 11052883

IUPAC2-(phenylmethoxyamino)butanoic acid
SMILESCCC(NOCc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-10(11(13)14)12-15-8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,13,14)
InChIKeyGZLFXLVVIAXAEZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.57
Rot. Bonds6

About 2-(phenylmethoxyamino)butanoic acid

2-(phenylmethoxyamino)butanoic acid (PubChem CID 11052883) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(phenylmethoxyamino)butanoic acid.

Molecular Properties

Compound Name2-(phenylmethoxyamino)butanoic acid
PubChem CID11052883
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(phenylmethoxyamino)butanoic acid
SMILESCCC(NOCc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-10(11(13)14)12-15-8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,13,14)
InChIKeyGZLFXLVVIAXAEZ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-benzyl-L-serine
CID 78457
4-(Phenylmethyl) hydrogen L-aspartate
CID 101186
(2S,3R)-2-amino-3-(benzyloxy)butanoic acid
CID 6951054
D-Alanine, phenylmethyl ester
CID 726857
benzyl (2S)-2-amino-3-methylbutanoate
CID 6950584
O-Benzyl-D-serine
CID 112114
Benzyl L-alaninate hydrochloride
CID 437645
(3R)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
CID 6995008
2-(benzyloxyamino)-N-hydroxy-3-methylpentanamide
CID 16721024
2-(benzyloxyamino)-N-hydroxyhexanamide
CID 44423686
O-(Phenylmethyl)serine
CID 4573
3-(Hydroxymethyl)-phenylalanine
CID 67059715

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxyamino)butanoic acid?
The IUPAC name of 2-(phenylmethoxyamino)butanoic acid (CID 11052883) is 2-(phenylmethoxyamino)butanoic acid.
What is the SMILES notation for 2-(phenylmethoxyamino)butanoic acid?
The canonical SMILES for 2-(phenylmethoxyamino)butanoic acid is CCC(NOCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(phenylmethoxyamino)butanoic acid?
The InChIKey is GZLFXLVVIAXAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-10(11(13)14)12-15-8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,13,14).
What are the key properties of 2-(phenylmethoxyamino)butanoic acid?
2-(phenylmethoxyamino)butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxyamino)butanoic acid is sourced from PubChem (CID 11052883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).