3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid

C13H19N3O3 — CID 61199983

IUPAC3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)NCc1cccnc1
InChIInChI=1S/C13H19N3O3/c1-10(2)16(7-5-12(17)18)13(19)15-9-11-4-3-6-14-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMEMAJURLJXQTEG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds6

About 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid

3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid (PubChem CID 61199983) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
PubChem CID61199983
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)NCc1cccnc1
InChIInChI=1S/C13H19N3O3/c1-10(2)16(7-5-12(17)18)13(19)15-9-11-4-3-6-14-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMEMAJURLJXQTEG-UHFFFAOYSA-N
XLogP1.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
3-[[methyl(pyridin-3-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61203602
3-[(4-methylphenyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 61190416
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62992810
4-[(3-methyl-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114701344
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid (CID 61199983) is 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)NCc1cccnc1.
What is the InChIKey of 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid?
The InChIKey is MEMAJURLJXQTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(2)16(7-5-12(17)18)13(19)15-9-11-4-3-6-14-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid?
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61199983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).