3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid

C10H13N3O3 — CID 96605911

IUPAC3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid
SMILESNC(=O)N(CCC(=O)O)Cc1ccncc1
InChIInChI=1S/C10H13N3O3/c11-10(16)13(6-3-9(14)15)7-8-1-4-12-5-2-8/h1-2,4-5H,3,6-7H2,(H2,11,16)(H,14,15)
InChIKeyOBAKUXQMYDWONY-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.44
Rot. Bonds5

About 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid

3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid (PubChem CID 96605911) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid
PubChem CID96605911
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid
SMILESNC(=O)N(CCC(=O)O)Cc1ccncc1
InChIInChI=1S/C10H13N3O3/c11-10(16)13(6-3-9(14)15)7-8-1-4-12-5-2-8/h1-2,4-5H,3,6-7H2,(H2,11,16)(H,14,15)
InChIKeyOBAKUXQMYDWONY-UHFFFAOYSA-N
XLogP0.44
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methylpropanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323624
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
3-[2-oxopropyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82329113
3-[prop-2-enyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82327980
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
3-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-(pyridin-4-ylmethyl)amino]propanoic acid
CID 167844457
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
methyl 3-[[(2R)-2-aminopropanoyl]-(pyridin-4-ylmethyl)amino]propanoate;hydrochloride
CID 120873027
3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329915
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 61203855
3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid
CID 119911946

Frequently Asked Questions

What is the IUPAC name of 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid (CID 96605911) is 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid is NC(=O)N(CCC(=O)O)Cc1ccncc1.
What is the InChIKey of 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid?
The InChIKey is OBAKUXQMYDWONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-10(16)13(6-3-9(14)15)7-8-1-4-12-5-2-8/h1-2,4-5H,3,6-7H2,(H2,11,16)(H,14,15).
What are the key properties of 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid?
3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 96605911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).