2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid

C13H19N3O3 — CID 61197706

IUPAC2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NC(C)c1ccncc1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-4-11(12(17)18)16-13(19)15-9(2)10-5-7-14-8-6-10/h5-9,11H,3-4H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyFSMHOKCJHZXNHE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds6

About 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid

2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid (PubChem CID 61197706) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
PubChem CID61197706
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NC(C)c1ccncc1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-4-11(12(17)18)16-13(19)15-9(2)10-5-7-14-8-6-10/h5-9,11H,3-4H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyFSMHOKCJHZXNHE-UHFFFAOYSA-N
XLogP1.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
(2S)-2-[1-(4-methylphenyl)ethylcarbamoylamino]hexanoic acid
CID 107145758
(2S)-2-[1-(3-chlorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566512
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566523
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
2-(1-pyridin-3-ylethylcarbamoylamino)pentanedioic acid
CID 61197134
(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107566981
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61470647

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid (CID 61197706) is 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NC(C)c1ccncc1)C(=O)O.
What is the InChIKey of 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is FSMHOKCJHZXNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-4-11(12(17)18)16-13(19)15-9(2)10-5-7-14-8-6-10/h5-9,11H,3-4H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid?
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61197706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).