1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid

C14H15N3O3 — CID 43442128

IUPAC1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C14H15N3O3/c18-13-11(8-17-7-3-6-12(17)14(19)20)15-9-4-1-2-5-10(9)16-13/h1-2,4-5,12H,3,6-8H2,(H,16,18)(H,19,20)
InChIKeyMGVBHPLGPJTAPY-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.97
Rot. Bonds3

About 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442128) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID43442128
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C14H15N3O3/c18-13-11(8-17-7-3-6-12(17)14(19)20)15-9-4-1-2-5-10(9)16-13/h1-2,4-5,12H,3,6-8H2,(H,16,18)(H,19,20)
InChIKeyMGVBHPLGPJTAPY-UHFFFAOYSA-N
XLogP0.97
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102785485
1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909636
3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one
CID 78963602
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119908923
5-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]triazole-4-carboxylic acid
CID 62053696
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3611610
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
CID 104975782
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-2-carboxylic acid
CID 65054375

Frequently Asked Questions

What is the IUPAC name of 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43442128) is 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MGVBHPLGPJTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-11(8-17-7-3-6-12(17)14(19)20)15-9-4-1-2-5-10(9)16-13/h1-2,4-5,12H,3,6-8H2,(H,16,18)(H,19,20).
What are the key properties of 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).