(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid

C13H13N3O3 — CID 78917504

IUPAC(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)Nc1cnc2ccccc2c1)C(=O)O
InChIInChI=1S/C13H13N3O3/c1-8(12(17)18)15-13(19)16-10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3,(H,17,18)(H2,15,16,19)/t8-/m1/s1
InChIKeyDPTWQDKWICVOJS-MRVPVSSYSA-N
MW259.26 g/mol
LogP1.83
Rot. Bonds3

About (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid

(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid (PubChem CID 78917504) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
PubChem CID78917504
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)Nc1cnc2ccccc2c1)C(=O)O
InChIInChI=1S/C13H13N3O3/c1-8(12(17)18)15-13(19)16-10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3,(H,17,18)(H2,15,16,19)/t8-/m1/s1
InChIKeyDPTWQDKWICVOJS-MRVPVSSYSA-N
XLogP1.83
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
CID 107566857
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
methyl N-quinolin-3-ylcarbamate
CID 19697860
(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330456
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid (CID 78917504) is (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid is C[C@@H](NC(=O)Nc1cnc2ccccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid?
The InChIKey is DPTWQDKWICVOJS-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8(12(17)18)15-13(19)16-10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3,(H,17,18)(H2,15,16,19)/t8-/m1/s1.
What are the key properties of (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid?
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 78917504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).