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

C13H19N3O3 — CID 43563730

IUPAC4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C13H19N3O3/c1-15(8-4-6-12(17)18)13(19)16(2)10-11-5-3-7-14-9-11/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,17,18)
InChIKeyNEMJJDKZDPXKDH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds6

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

4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid (PubChem CID 43563730) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid
PubChem CID43563730
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C13H19N3O3/c1-15(8-4-6-12(17)18)13(19)16(2)10-11-5-3-7-14-9-11/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,17,18)
InChIKeyNEMJJDKZDPXKDH-UHFFFAOYSA-N
XLogP1.43
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
3-[[methyl(pyridin-3-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61203602
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
(Z)-2,3-dimethyl-4-[methyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 55167727
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 64518115
4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid
CID 63262572

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid (CID 43563730) is 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)N(C)Cc1cccnc1.
What is the InChIKey of 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid?
The InChIKey is NEMJJDKZDPXKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(8-4-6-12(17)18)13(19)16(2)10-11-5-3-7-14-9-11/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid?
4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 43563730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).