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

C11H15N3O4 — CID 113277599

IUPAC2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCOCC(N)C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H15N3O4/c1-18-6-9(12)10(15)14-5-8-4-7(11(16)17)2-3-13-8/h2-4,9H,5-6,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyNZKJBGJSATWOKD-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.63
Rot. Bonds6

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

2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 113277599) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID113277599
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCOCC(N)C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H15N3O4/c1-18-6-9(12)10(15)14-5-8-4-7(11(16)17)2-3-13-8/h2-4,9H,5-6,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyNZKJBGJSATWOKD-UHFFFAOYSA-N
XLogP-0.63
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid
CID 107146210
2-[(1-methoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277666
2-[[(4-amino-2-methylbutanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277585
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 82937508
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid
CID 55268372
2-amino-3-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 81088885
3-[2-[(2-amino-3-methoxypropanoyl)amino]ethyl]benzoic acid
CID 81088349
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325257
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid (CID 113277599) is 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid is COCC(N)C(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is NZKJBGJSATWOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-18-6-9(12)10(15)14-5-8-4-7(11(16)17)2-3-13-8/h2-4,9H,5-6,12H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 113277599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).