2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid

C14H21N3O3 — CID 81162308

IUPAC2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCCCOc1cncc(NCC2(CC(=O)O)CCC2)n1
InChIInChI=1S/C14H21N3O3/c1-2-6-20-12-9-15-8-11(17-12)16-10-14(4-3-5-14)7-13(18)19/h8-9H,2-7,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyFAGKUNXHOAKEHQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds8

About 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81162308) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81162308
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCCCOc1cncc(NCC2(CC(=O)O)CCC2)n1
InChIInChI=1S/C14H21N3O3/c1-2-6-20-12-9-15-8-11(17-12)16-10-14(4-3-5-14)7-13(18)19/h8-9H,2-7,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyFAGKUNXHOAKEHQ-UHFFFAOYSA-N
XLogP2.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436121
2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid
CID 114335389
4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438744
1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450341
3-[[(6-propoxypyrazin-2-yl)amino]methyl]pentanoic acid
CID 81069018
2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid
CID 81161057
[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115360640
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309144
2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162300
2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid
CID 64669262
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-methoxypyrazin-2-amine
CID 113295240

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid (CID 81162308) is 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid is CCCOc1cncc(NCC2(CC(=O)O)CCC2)n1.
What is the InChIKey of 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is FAGKUNXHOAKEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-6-20-12-9-15-8-11(17-12)16-10-14(4-3-5-14)7-13(18)19/h8-9H,2-7,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).