2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid

C10H15N3O2 — CID 82060937

IUPAC2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
SMILESCCC(Nc1ccc(N)c(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-3-8(10(14)15)13-9-5-4-7(11)6(2)12-9/h4-5,8H,3,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyFEELYNYGPGOCQC-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.25
Rot. Bonds4

About 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid

2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid (PubChem CID 82060937) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
PubChem CID82060937
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
SMILESCCC(Nc1ccc(N)c(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-3-8(10(14)15)13-9-5-4-7(11)6(2)12-9/h4-5,8H,3,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyFEELYNYGPGOCQC-UHFFFAOYSA-N
XLogP1.25
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82057666
N-(5-amino-6-methyl-2-pyridinyl)propanamide
CID 82330911
2-[(5-amino-6-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 115356046
4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82060932
(2R)-2-[(5-cyano-6-methyl-2-pyridinyl)amino]butanedioic acid
CID 166401672
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
2-[(5-amino-6-propoxy-2-pyridinyl)amino]propanamide
CID 43545441
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
2-[(4-cyano-2-pyridinyl)amino]butanoic acid
CID 43470148
2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid
CID 79827232
2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
CID 114989428

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid?
The IUPAC name of 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid (CID 82060937) is 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid?
The canonical SMILES for 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid is CCC(Nc1ccc(N)c(C)n1)C(=O)O.
What is the InChIKey of 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid?
The InChIKey is FEELYNYGPGOCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-8(10(14)15)13-9-5-4-7(11)6(2)12-9/h4-5,8H,3,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid?
2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 82060937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).