2-amino-2-(benzylamino)acetic acid

C9H12N2O2 — CID 142782950

IUPAC2-amino-2-(benzylamino)acetic acid
SMILESNC(NCc1ccccc1)C(=O)O
InChIInChI=1S/C9H12N2O2/c10-8(9(12)13)11-6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)
InChIKeyUXRAVFXUWNDSRO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.15
Rot. Bonds4

About 2-amino-2-(benzylamino)acetic acid

2-amino-2-(benzylamino)acetic acid (PubChem CID 142782950) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-2-(benzylamino)acetic acid.

Molecular Properties

Compound Name2-amino-2-(benzylamino)acetic acid
PubChem CID142782950
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-2-(benzylamino)acetic acid
SMILESNC(NCc1ccccc1)C(=O)O
InChIInChI=1S/C9H12N2O2/c10-8(9(12)13)11-6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)
InChIKeyUXRAVFXUWNDSRO-UHFFFAOYSA-N
XLogP0.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.15
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-(benzylamino)-2-hydroxyacetic acid
CID 163519207
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
dimethyl 2-(benzylamino)propanedioate
CID 562185
2-(benzylamino)-3-oxo-3-phenylmethoxypropanoic acid
CID 22016839
(2S)-2-(benzylamino)-3-phenylbutanoic acid
CID 141046976
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
(2S)-2-(benzylamino)butanamide
CID 131998527
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(benzylamino)acetic acid?
The IUPAC name of 2-amino-2-(benzylamino)acetic acid (CID 142782950) is 2-amino-2-(benzylamino)acetic acid.
What is the SMILES notation for 2-amino-2-(benzylamino)acetic acid?
The canonical SMILES for 2-amino-2-(benzylamino)acetic acid is NC(NCc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-2-(benzylamino)acetic acid?
The InChIKey is UXRAVFXUWNDSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-8(9(12)13)11-6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13).
What are the key properties of 2-amino-2-(benzylamino)acetic acid?
2-amino-2-(benzylamino)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(benzylamino)acetic acid is sourced from PubChem (CID 142782950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).