2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid

C13H16N2O4 — CID 43655581

IUPAC2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
SMILESCn1ccc(C(=O)N(CC(=O)O)CC2CC2)cc1=O
InChIInChI=1S/C13H16N2O4/c1-14-5-4-10(6-11(14)16)13(19)15(8-12(17)18)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyPILFRYXKEOUSLW-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.32
Rot. Bonds5

About 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid (PubChem CID 43655581) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
PubChem CID43655581
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
SMILESCn1ccc(C(=O)N(CC(=O)O)CC2CC2)cc1=O
InChIInChI=1S/C13H16N2O4/c1-14-5-4-10(6-11(14)16)13(19)15(8-12(17)18)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyPILFRYXKEOUSLW-UHFFFAOYSA-N
XLogP0.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid (CID 43655581) is 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid is Cn1ccc(C(=O)N(CC(=O)O)CC2CC2)cc1=O.
What is the InChIKey of 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid?
The InChIKey is PILFRYXKEOUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-14-5-4-10(6-11(14)16)13(19)15(8-12(17)18)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 43655581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).