3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid

C10H13N3O3 — CID 67329500

IUPAC3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
SMILESNC(CC(=O)O)NC(=O)Cc1cccnc1
InChIInChI=1S/C10H13N3O3/c11-8(5-10(15)16)13-9(14)4-7-2-1-3-12-6-7/h1-3,6,8H,4-5,11H2,(H,13,14)(H,15,16)
InChIKeyNBSMAZDLLFMUOT-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.50
Rot. Bonds5

About 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid

3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid (PubChem CID 67329500) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
PubChem CID67329500
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
SMILESNC(CC(=O)O)NC(=O)Cc1cccnc1
InChIInChI=1S/C10H13N3O3/c11-8(5-10(15)16)13-9(14)4-7-2-1-3-12-6-7/h1-3,6,8H,4-5,11H2,(H,13,14)(H,15,16)
InChIKeyNBSMAZDLLFMUOT-UHFFFAOYSA-N
XLogP-0.50
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic 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

CID 66868100
CID 66868100
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
CID 63913163
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 103153354

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The IUPAC name of 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid (CID 67329500) is 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid is NC(CC(=O)O)NC(=O)Cc1cccnc1.
What is the InChIKey of 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The InChIKey is NBSMAZDLLFMUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-8(5-10(15)16)13-9(14)4-7-2-1-3-12-6-7/h1-3,6,8H,4-5,11H2,(H,13,14)(H,15,16).
What are the key properties of 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 67329500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).