4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid

C14H21N3O3 — CID 66252141

IUPAC4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)c1cnccn1)C1COCC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-6-17(10(2)12-7-15-4-5-16-12)13-9-20-8-11(13)14(18)19/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H,18,19)
InChIKeyIKRHTCZNDMXBFS-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.35
Rot. Bonds6

About 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid

4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252141) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
PubChem CID66252141
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)c1cnccn1)C1COCC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-6-17(10(2)12-7-15-4-5-16-12)13-9-20-8-11(13)14(18)19/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H,18,19)
InChIKeyIKRHTCZNDMXBFS-UHFFFAOYSA-N
XLogP1.35
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66247498
4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252339
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid
CID 113487083
2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid
CID 96555431
4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66252672
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
CID 66251302
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
4-[(3-nitro-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66254191
4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 115982215
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
2-[cyclopropyl-[(1R)-1-pyrazin-2-ylethyl]amino]ethanol
CID 96555165

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid (CID 66252141) is 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid is CCCN(C(C)c1cnccn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is IKRHTCZNDMXBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-6-17(10(2)12-7-15-4-5-16-12)13-9-20-8-11(13)14(18)19/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid?
4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).