3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid

C11H15N3O3 — CID 61198838

IUPAC3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCCC(=O)O)c1ccncc1
InChIInChI=1S/C11H15N3O3/c1-8(9-2-5-12-6-3-9)14-11(17)13-7-4-10(15)16/h2-3,5-6,8H,4,7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyBZMHHEFTNJHHBB-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.92
Rot. Bonds5

About 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid

3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid (PubChem CID 61198838) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
PubChem CID61198838
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCCC(=O)O)c1ccncc1
InChIInChI=1S/C11H15N3O3/c1-8(9-2-5-12-6-3-9)14-11(17)13-7-4-10(15)16/h2-3,5-6,8H,4,7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyBZMHHEFTNJHHBB-UHFFFAOYSA-N
XLogP0.92
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]propanoic acid
CID 94221926
3-[(1-pyridin-4-ylethylcarbamoylamino)methyl]pentanoic acid
CID 81069615
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
3-[1-(3-bromophenyl)ethylcarbamoylamino]propanoic acid
CID 54967412
3-[1-(4-pyridin-4-ylphenyl)ethylamino]propanoic acid
CID 139017053
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
CID 22154336
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
1-(3-hydroxy-4-methylpentyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea
CID 111542837
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95300643

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid (CID 61198838) is 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid is CC(NC(=O)NCCC(=O)O)c1ccncc1.
What is the InChIKey of 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid?
The InChIKey is BZMHHEFTNJHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(9-2-5-12-6-3-9)14-11(17)13-7-4-10(15)16/h2-3,5-6,8H,4,7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid?
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61198838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).