4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid

C13H15N5O3 — CID 64889290

IUPAC4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C13H15N5O3/c14-9(4-5-11(19)20)13(21)17-10-3-1-6-15-12(10)18-8-2-7-16-18/h1-3,6-9H,4-5,14H2,(H,17,21)(H,19,20)
InChIKeyIUTZOIVHEKNDON-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.40
Rot. Bonds6

About 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid

4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid (PubChem CID 64889290) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
PubChem CID64889290
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C13H15N5O3/c14-9(4-5-11(19)20)13(21)17-10-3-1-6-15-12(10)18-8-2-7-16-18/h1-3,6-9H,4-5,14H2,(H,17,21)(H,19,20)
InChIKeyIUTZOIVHEKNDON-UHFFFAOYSA-N
XLogP0.40
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
CID 64895405
5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid
CID 113392266
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
2-phenoxy-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 43063138
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid (CID 64889290) is 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid is NC(CCC(=O)O)C(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid?
The InChIKey is IUTZOIVHEKNDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-9(4-5-11(19)20)13(21)17-10-3-1-6-15-12(10)18-8-2-7-16-18/h1-3,6-9H,4-5,14H2,(H,17,21)(H,19,20).
What are the key properties of 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid?
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid has a molecular weight of 289.30 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 64889290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).