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

C11H15N3O3 — CID 79043536

IUPAC4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
SMILESCc1ncccc1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H15N3O3/c1-7-9(3-2-6-13-7)14-11(17)8(12)4-5-10(15)16/h2-3,6,8H,4-5,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyGFVLMWIAGDHLGR-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.52
Rot. Bonds5

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

4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 79043536) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID79043536
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
SMILESCc1ncccc1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H15N3O3/c1-7-9(3-2-6-13-7)14-11(17)8(12)4-5-10(15)16/h2-3,6,8H,4-5,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyGFVLMWIAGDHLGR-UHFFFAOYSA-N
XLogP0.52
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
CID 64895405
4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid
CID 113392266
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 64896402
(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119844518
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid (CID 79043536) is 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid is Cc1ncccc1NC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is GFVLMWIAGDHLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-9(3-2-6-13-7)14-11(17)8(12)4-5-10(15)16/h2-3,6,8H,4-5,12H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid?
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 79043536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).