5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid

C12H17N3O4 — CID 103156329

IUPAC5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOC(CN)CC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H17N3O4/c1-19-9(5-13)4-11(16)15-7-8-2-3-10(12(17)18)14-6-8/h2-3,6,9H,4-5,7,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyYUFQGXHFLSEEMO-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.24
Rot. Bonds7

About 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 103156329) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID103156329
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOC(CN)CC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H17N3O4/c1-19-9(5-13)4-11(16)15-7-8-2-3-10(12(17)18)14-6-8/h2-3,6,9H,4-5,7,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyYUFQGXHFLSEEMO-UHFFFAOYSA-N
XLogP-0.24
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095512
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 112555795
4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 107093435
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid (CID 103156329) is 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid is COC(CN)CC(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is YUFQGXHFLSEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-9(5-13)4-11(16)15-7-8-2-3-10(12(17)18)14-6-8/h2-3,6,9H,4-5,7,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103156329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).