2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid

C12H14N2O4 — CID 43655199

IUPAC2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H14N2O4/c15-10(16)7-14(6-8-3-4-8)12(18)9-2-1-5-13-11(9)17/h1-2,5,8H,3-4,6-7H2,(H,13,17)(H,15,16)
InChIKeyNVXGVIBXJVWSHZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.31
Rot. Bonds5

About 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (PubChem CID 43655199) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
PubChem CID43655199
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H14N2O4/c15-10(16)7-14(6-8-3-4-8)12(18)9-2-1-5-13-11(9)17/h1-2,5,8H,3-4,6-7H2,(H,13,17)(H,15,16)
InChIKeyNVXGVIBXJVWSHZ-UHFFFAOYSA-N
XLogP0.31
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (CID 43655199) is 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is NVXGVIBXJVWSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10(16)7-14(6-8-3-4-8)12(18)9-2-1-5-13-11(9)17/h1-2,5,8H,3-4,6-7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43655199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).