3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid

C11H15N3O3 — CID 61187084

IUPAC3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Nc1cccnc1
InChIInChI=1S/C11H15N3O3/c1-2-14(7-5-10(15)16)11(17)13-9-4-3-6-12-8-9/h3-4,6,8H,2,5,7H2,1H3,(H,13,17)(H,15,16)
InChIKeyFJIXZNXSMPYOIX-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.41
Rot. Bonds5

About 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid

3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid (PubChem CID 61187084) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
PubChem CID61187084
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Nc1cccnc1
InChIInChI=1S/C11H15N3O3/c1-2-14(7-5-10(15)16)11(17)13-9-4-3-6-12-8-9/h3-4,6,8H,2,5,7H2,1H3,(H,13,17)(H,15,16)
InChIKeyFJIXZNXSMPYOIX-UHFFFAOYSA-N
XLogP1.41
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
CID 60591438
1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea
CID 143767682
1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
2-[tert-butyl(pyridin-3-ylcarbamoyl)amino]acetic acid
CID 79257648
1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
CID 111121985
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
3-[ethyl-[(3,4,5-trifluorophenyl)carbamoyl]amino]propanoic acid
CID 62814269
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
3-[(2-bromophenyl)carbamoyl-ethylamino]propanoic acid
CID 61190821

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid (CID 61187084) is 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)Nc1cccnc1.
What is the InChIKey of 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid?
The InChIKey is FJIXZNXSMPYOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-14(7-5-10(15)16)11(17)13-9-4-3-6-12-8-9/h3-4,6,8H,2,5,7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid?
3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61187084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).