2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid

C13H19N3O3 — CID 61183979

IUPAC2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCc1ccccn1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-5-11(12(17)18)16-13(19)15-9-7-10-6-3-4-8-14-10/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyXWGFNYHAARUKAF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds7

About 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid

2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid (PubChem CID 61183979) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
PubChem CID61183979
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCc1ccccn1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-5-11(12(17)18)16-13(19)15-9-7-10-6-3-4-8-14-10/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyXWGFNYHAARUKAF-UHFFFAOYSA-N
XLogP1.18
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methoxy-4-oxo-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 63307272
(2S)-4-amino-4-oxo-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 63714896
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
2-[[15-[bis(pyridin-2-ylmethyl)amino]-8-oxopentadecyl]carbamoylamino]pentanoic acid
CID 161194779
(2S)-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107566965
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
2-[[14-[6-[methyl(pyridin-2-ylmethyl)amino]hexylamino]-7,14-dioxotetradecyl]carbamoylamino]pentanoic acid
CID 158273083
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
(2S)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 106261999
2-phenyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 53493076
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95135121

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid (CID 61183979) is 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCCc1ccccn1)C(=O)O.
What is the InChIKey of 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is XWGFNYHAARUKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-5-11(12(17)18)16-13(19)15-9-7-10-6-3-4-8-14-10/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61183979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).