2-(quinoxalin-6-ylcarbamoylamino)propanoic acid

C12H12N4O3 — CID 4974593

IUPAC2-(quinoxalin-6-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1ccc2nccnc2c1)C(=O)O
InChIInChI=1S/C12H12N4O3/c1-7(11(17)18)15-12(19)16-8-2-3-9-10(6-8)14-5-4-13-9/h2-7H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUZACOSPUIVPHRZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.22
Rot. Bonds3

About 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid

2-(quinoxalin-6-ylcarbamoylamino)propanoic acid (PubChem CID 4974593) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(quinoxalin-6-ylcarbamoylamino)propanoic acid
PubChem CID4974593
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-(quinoxalin-6-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1ccc2nccnc2c1)C(=O)O
InChIInChI=1S/C12H12N4O3/c1-7(11(17)18)15-12(19)16-8-2-3-9-10(6-8)14-5-4-13-9/h2-7H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUZACOSPUIVPHRZ-UHFFFAOYSA-N
XLogP1.22
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
(2R)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoic acid
CID 54991355
2-chloro-N-quinoxalin-6-ylpropanamide
CID 60933766
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
(2R)-2-[(3-ethyl-4-methylphenyl)carbamoylamino]propanoic acid
CID 114189010
methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate
CID 3934673
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 47254889
N'-methyl-N'-propan-2-yl-N-quinoxalin-6-yloxamide
CID 99716975

Frequently Asked Questions

What is the IUPAC name of 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid (CID 4974593) is 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid is CC(NC(=O)Nc1ccc2nccnc2c1)C(=O)O.
What is the InChIKey of 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid?
The InChIKey is UZACOSPUIVPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7(11(17)18)15-12(19)16-8-2-3-9-10(6-8)14-5-4-13-9/h2-7H,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid?
2-(quinoxalin-6-ylcarbamoylamino)propanoic acid has a molecular weight of 260.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxalin-6-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 4974593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).