4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid

C10H13N3O4 — CID 113392266

IUPAC4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ncccc1O
InChIInChI=1S/C10H13N3O4/c11-6(3-4-8(15)16)10(17)13-9-7(14)2-1-5-12-9/h1-2,5-6,14H,3-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyNJAFJCVPAWOIGP-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.08
Rot. Bonds5

About 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid

4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 113392266) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID113392266
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ncccc1O
InChIInChI=1S/C10H13N3O4/c11-6(3-4-8(15)16)10(17)13-9-7(14)2-1-5-12-9/h1-2,5-6,14H,3-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyNJAFJCVPAWOIGP-UHFFFAOYSA-N
XLogP-0.08
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)pentanamide
CID 107570512
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
CID 64895405
(2R)-2-amino-N-(3-hydroxy-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104908993
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 103630280
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 61148284

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid (CID 113392266) is 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)Nc1ncccc1O.
What is the InChIKey of 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is NJAFJCVPAWOIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-6(3-4-8(15)16)10(17)13-9-7(14)2-1-5-12-9/h1-2,5-6,14H,3-4,11H2,(H,15,16)(H,12,13,17).
What are the key properties of 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid?
4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 113392266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).