2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid

C9H11N3O3 — CID 115180971

IUPAC2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
SMILESNC(CC(=O)Nc1ccccn1)C(=O)O
InChIInChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)
InChIKeyHEYRGJOINQMKAJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.18
Rot. Bonds4

About 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid

2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid (PubChem CID 115180971) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
PubChem CID115180971
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
SMILESNC(CC(=O)Nc1ccccn1)C(=O)O
InChIInChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)
InChIKeyHEYRGJOINQMKAJ-UHFFFAOYSA-N
XLogP-0.18
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
CID 67254452
(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
CID 946111
disodium;2-phosphonato-N-pyridin-2-ylacetamide
CID 53322963
2-[2-oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid?
The IUPAC name of 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid (CID 115180971) is 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid?
The canonical SMILES for 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid is NC(CC(=O)Nc1ccccn1)C(=O)O.
What is the InChIKey of 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid?
The InChIKey is HEYRGJOINQMKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid?
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid has a molecular weight of 209.21 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid is sourced from PubChem (CID 115180971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).