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

C9H11N3O3 — CID 64895452

IUPAC3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
SMILESNC(CC(=O)O)C(=O)Nc1ccccn1
InChIInChI=1S/C9H11N3O3/c10-6(5-8(13)14)9(15)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,13,14)(H,11,12,15)
InChIKeyIENMZJMWVPLIJB-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.18
Rot. Bonds4

About 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid

3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid (PubChem CID 64895452) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid.

Molecular Properties

Compound Name3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
PubChem CID64895452
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
SMILESNC(CC(=O)O)C(=O)Nc1ccccn1
InChIInChI=1S/C9H11N3O3/c10-6(5-8(13)14)9(15)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,13,14)(H,11,12,15)
InChIKeyIENMZJMWVPLIJB-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

2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
(2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide
CID 70213624
(3S)-3-amino-4-(2-hydroxyanilino)-4-oxobutanoic acid
CID 70293663
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
3-amino-4-[[2-(dimethylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896477
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate
CID 1131245
3-amino-4-(naphthalen-1-ylamino)-4-oxobutanoic acid
CID 64896628
3-methyl-4-(pyridin-2-ylamino)butanoic acid
CID 115219759
3-amino-4-oxo-4-(4-pyrazol-1-ylanilino)butanoic acid
CID 64895291

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid?
The IUPAC name of 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid (CID 64895452) is 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid.
What is the SMILES notation for 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid?
The canonical SMILES for 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid is NC(CC(=O)O)C(=O)Nc1ccccn1.
What is the InChIKey of 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid?
The InChIKey is IENMZJMWVPLIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-6(5-8(13)14)9(15)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,13,14)(H,11,12,15).
What are the key properties of 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid?
3-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 3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid is sourced from PubChem (CID 64895452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).