2-methyl-4-(pyridin-4-ylamino)butanoic acid

C10H14N2O2 — CID 80539478

IUPAC2-methyl-4-(pyridin-4-ylamino)butanoic acid
SMILESCC(CCNc1ccncc1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-8(10(13)14)2-7-12-9-3-5-11-6-4-9/h3-6,8H,2,7H2,1H3,(H,11,12)(H,13,14)
InChIKeyJPMGQKNKNJDXRW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.60
Rot. Bonds5

About 2-methyl-4-(pyridin-4-ylamino)butanoic acid

2-methyl-4-(pyridin-4-ylamino)butanoic acid (PubChem CID 80539478) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methyl-4-(pyridin-4-ylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(pyridin-4-ylamino)butanoic acid
PubChem CID80539478
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-methyl-4-(pyridin-4-ylamino)butanoic acid
SMILESCC(CCNc1ccncc1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-8(10(13)14)2-7-12-9-3-5-11-6-4-9/h3-6,8H,2,7H2,1H3,(H,11,12)(H,13,14)
InChIKeyJPMGQKNKNJDXRW-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(pyridin-4-ylamino)propanoic acid
CID 46848736
4-(pyridin-4-ylamino)butan-2-one
CID 89125446
2-methyl-4-(thiophen-2-ylamino)butanoic acid
CID 115220490
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
CID 62662678
2-methyl-5-(pyridin-4-ylmethylcarbamoylamino)pentanoic acid
CID 104686194
2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid
CID 65289085
1-N-pyridin-4-ylpentane-1,4-diamine
CID 106127738
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
2-methyl-4-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 80539688
4,4-dimethyl-2-[(pyridin-4-ylamino)methyl]pentanoic acid
CID 107475108
4-(3-bromo-4-methoxyanilino)-2-methylbutanoic acid
CID 115220506
4-(3-bromo-4-carbamoylanilino)-2-methylbutanoic acid
CID 107275586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyridin-4-ylamino)butanoic acid?
The IUPAC name of 2-methyl-4-(pyridin-4-ylamino)butanoic acid (CID 80539478) is 2-methyl-4-(pyridin-4-ylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-(pyridin-4-ylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-(pyridin-4-ylamino)butanoic acid is CC(CCNc1ccncc1)C(=O)O.
What is the InChIKey of 2-methyl-4-(pyridin-4-ylamino)butanoic acid?
The InChIKey is JPMGQKNKNJDXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(10(13)14)2-7-12-9-3-5-11-6-4-9/h3-6,8H,2,7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-4-(pyridin-4-ylamino)butanoic acid?
2-methyl-4-(pyridin-4-ylamino)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyridin-4-ylamino)butanoic acid is sourced from PubChem (CID 80539478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).