2-(benzylamino)-2-hydroxyacetic acid

C9H11NO3 — CID 163519207

IUPAC2-(benzylamino)-2-hydroxyacetic acid
SMILESO=C(O)C(O)NCc1ccccc1
InChIInChI=1S/C9H11NO3/c11-8(9(12)13)10-6-7-4-2-1-3-5-7/h1-5,8,10-11H,6H2,(H,12,13)
InChIKeyDJHSBKXDIZIUFT-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.18
Rot. Bonds4

About 2-(benzylamino)-2-hydroxyacetic acid

2-(benzylamino)-2-hydroxyacetic acid (PubChem CID 163519207) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(benzylamino)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-hydroxyacetic acid
PubChem CID163519207
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(benzylamino)-2-hydroxyacetic acid
SMILESO=C(O)C(O)NCc1ccccc1
InChIInChI=1S/C9H11NO3/c11-8(9(12)13)10-6-7-4-2-1-3-5-7/h1-5,8,10-11H,6H2,(H,12,13)
InChIKeyDJHSBKXDIZIUFT-UHFFFAOYSA-N
XLogP0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(benzylamino)acetic acid
CID 142782950
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941
N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
CID 175540511
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid;hydrate
CID 172680795
N-benzylhydroxylamine;2,3-dihydroxybutanedioic acid
CID 162320499
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581
(2S,3R)-2-(benzylamino)-3-hydroxybutanoic acid;(2S,3R)-3-hydroxy-2-(methylamino)butanoic acid
CID 158563738
(2R,3R,4S,5R)-2-(benzylamino)-3,4,5,6-tetrahydroxyhexanoic acid
CID 144649374
(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid
CID 141366612
4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one
CID 18716186

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-hydroxyacetic acid?
The IUPAC name of 2-(benzylamino)-2-hydroxyacetic acid (CID 163519207) is 2-(benzylamino)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(benzylamino)-2-hydroxyacetic acid?
The canonical SMILES for 2-(benzylamino)-2-hydroxyacetic acid is O=C(O)C(O)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-hydroxyacetic acid?
The InChIKey is DJHSBKXDIZIUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8(9(12)13)10-6-7-4-2-1-3-5-7/h1-5,8,10-11H,6H2,(H,12,13).
What are the key properties of 2-(benzylamino)-2-hydroxyacetic acid?
2-(benzylamino)-2-hydroxyacetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-hydroxyacetic acid is sourced from PubChem (CID 163519207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).