5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid

C11H15N3O3 — CID 81100485

IUPAC5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
SMILESCC(N)CC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15N3O3/c1-7(12)4-10(15)14-6-8-2-3-9(11(16)17)13-5-8/h2-3,5,7H,4,6,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyHLJVSLCZTRURJF-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.13
Rot. Bonds5

About 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid

5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81100485) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81100485
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
SMILESCC(N)CC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15N3O3/c1-7(12)4-10(15)14-6-8-2-3-9(11(16)17)13-5-8/h2-3,5,7H,4,6,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyHLJVSLCZTRURJF-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 112555795
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095512
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
5-[(octanoylamino)methyl]pyridine-2-carboxylic acid
CID 81099659
5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81089954
5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090541
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid (CID 81100485) is 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid is CC(N)CC(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is HLJVSLCZTRURJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(12)4-10(15)14-6-8-2-3-9(11(16)17)13-5-8/h2-3,5,7H,4,6,12H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid?
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81100485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).