3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid

C14H14N2O3 — CID 117399042

IUPAC3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid
SMILESO=C(O)CC(c1ccc2[nH]c(=O)cnc2c1)C1CC1
InChIInChI=1S/C14H14N2O3/c17-13-7-15-12-5-9(3-4-11(12)16-13)10(6-14(18)19)8-1-2-8/h3-5,7-8,10H,1-2,6H2,(H,16,17)(H,18,19)
InChIKeyXYXBUGPKLPOCRF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.89
Rot. Bonds4

About 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid

3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid (PubChem CID 117399042) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid
PubChem CID117399042
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid
SMILESO=C(O)CC(c1ccc2[nH]c(=O)cnc2c1)C1CC1
InChIInChI=1S/C14H14N2O3/c17-13-7-15-12-5-9(3-4-11(12)16-13)10(6-14(18)19)8-1-2-8/h3-5,7-8,10H,1-2,6H2,(H,16,17)(H,18,19)
InChIKeyXYXBUGPKLPOCRF-UHFFFAOYSA-N
XLogP1.89
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117311810
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3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate
CID 117372969
3-cyclopropyl-3-(3-methylisoquinolin-7-yl)propanoic acid
CID 117391433
3-(1,2-benzothiazol-6-yl)-3-cyclopropylpropanoic acid
CID 117370834
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid
CID 83875396
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-cyclopropylpropanoic acid
CID 117463787

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid (CID 117399042) is 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid is O=C(O)CC(c1ccc2[nH]c(=O)cnc2c1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid?
The InChIKey is XYXBUGPKLPOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13-7-15-12-5-9(3-4-11(12)16-13)10(6-14(18)19)8-1-2-8/h3-5,7-8,10H,1-2,6H2,(H,16,17)(H,18,19).
What are the key properties of 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid?
3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid is sourced from PubChem (CID 117399042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).