2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid

C14H18N2O4 — CID 103555742

IUPAC2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCOC1(CC(=O)NCc2cc(C(=O)O)ccn2)CCC1
InChIInChI=1S/C14H18N2O4/c1-20-14(4-2-5-14)8-12(17)16-9-11-7-10(13(18)19)3-6-15-11/h3,6-7H,2,4-5,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMPZOVKXSTZDTNH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.36
Rot. Bonds6

About 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid

2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid (PubChem CID 103555742) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid
PubChem CID103555742
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCOC1(CC(=O)NCc2cc(C(=O)O)ccn2)CCC1
InChIInChI=1S/C14H18N2O4/c1-20-14(4-2-5-14)8-12(17)16-9-11-7-10(13(18)19)3-6-15-11/h3,6-7H,2,4-5,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMPZOVKXSTZDTNH-UHFFFAOYSA-N
XLogP1.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid (CID 103555742) is 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid is COC1(CC(=O)NCc2cc(C(=O)O)ccn2)CCC1.
What is the InChIKey of 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is MPZOVKXSTZDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-14(4-2-5-14)8-12(17)16-9-11-7-10(13(18)19)3-6-15-11/h3,6-7H,2,4-5,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid?
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 103555742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).