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

C12H17N3O3 — CID 61200236

IUPAC3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCc1cccnc1
InChIInChI=1S/C12H17N3O3/c1-2-15(7-5-11(16)17)12(18)14-9-10-4-3-6-13-8-10/h3-4,6,8H,2,5,7,9H2,1H3,(H,14,18)(H,16,17)
InChIKeyPFFUHMVGTDTQBZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.09
Rot. Bonds6

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

3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid (PubChem CID 61200236) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
PubChem CID61200236
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCc1cccnc1
InChIInChI=1S/C12H17N3O3/c1-2-15(7-5-11(16)17)12(18)14-9-10-4-3-6-13-8-10/h3-4,6,8H,2,5,7,9H2,1H3,(H,14,18)(H,16,17)
InChIKeyPFFUHMVGTDTQBZ-UHFFFAOYSA-N
XLogP1.09
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 106900417
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
CID 47125820
3-[ethyl-[(2-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 64694336
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 52541173
3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
CID 119362434

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid (CID 61200236) is 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)NCc1cccnc1.
What is the InChIKey of 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid?
The InChIKey is PFFUHMVGTDTQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-15(7-5-11(16)17)12(18)14-9-10-4-3-6-13-8-10/h3-4,6,8H,2,5,7,9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid?
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61200236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).