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

C15H17N3O3 — CID 107566857

IUPAC(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1cnc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-5-13(14(19)20)18-15(21)17-11-8-10-6-3-4-7-12(10)16-9-11/h3-4,6-9,13H,2,5H2,1H3,(H,19,20)(H2,17,18,21)/t13-/m1/s1
InChIKeyVWBJGTFOUIFLFF-CYBMUJFWSA-N
MW287.32 g/mol
LogP2.61
Rot. Bonds5

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

(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid (PubChem CID 107566857) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
PubChem CID107566857
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1cnc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-5-13(14(19)20)18-15(21)17-11-8-10-6-3-4-7-12(10)16-9-11/h3-4,6-9,13H,2,5H2,1H3,(H,19,20)(H2,17,18,21)/t13-/m1/s1
InChIKeyVWBJGTFOUIFLFF-CYBMUJFWSA-N
XLogP2.61
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
4-methylsulfanyl-2-(propanoylamino)-N-quinolin-3-ylbutanamide
CID 60523118
2-[(3-bromophenyl)carbamoylamino]pentanoic acid
CID 61191177
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid
CID 107566268
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
methyl N-quinolin-3-ylcarbamate
CID 19697860
(2S)-2-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 107565890
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
(2S)-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566862

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid (CID 107566857) is (2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)Nc1cnc2ccccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid?
The InChIKey is VWBJGTFOUIFLFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-5-13(14(19)20)18-15(21)17-11-8-10-6-3-4-7-12(10)16-9-11/h3-4,6-9,13H,2,5H2,1H3,(H,19,20)(H2,17,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid?
(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.61, 5 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)pentanoic acid is sourced from PubChem (CID 107566857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).