2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid

C15H23N3O3 — CID 115431161

IUPAC2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)NCc1ncccc1C)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-4-15(5-2,13(19)20)10-18-14(21)17-9-12-11(3)7-6-8-16-12/h6-8H,4-5,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyQKTOVIIKXVPBEV-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.08
Rot. Bonds7

About 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid

2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid (PubChem CID 115431161) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
PubChem CID115431161
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)NCc1ncccc1C)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-4-15(5-2,13(19)20)10-18-14(21)17-9-12-11(3)7-6-8-16-12/h6-8H,4-5,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyQKTOVIIKXVPBEV-UHFFFAOYSA-N
XLogP2.08
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid with MolForge

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Related Compounds

1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213
2-methyl-3-[(3-methyl-2-pyridinyl)methylcarbamoylamino]propanoic acid
CID 55205966
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773
2,2-dimethyl-4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 65301601
2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 115429550
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111455276
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
2-ethyl-2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]butanoic acid
CID 115430903
1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111104369
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
2-[[(2-bromopyridine-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 114037105
2-ethyl-2-[(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)methyl]butanoic acid
CID 113308788

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid (CID 115431161) is 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid is CCC(CC)(CNC(=O)NCc1ncccc1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid?
The InChIKey is QKTOVIIKXVPBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-15(5-2,13(19)20)10-18-14(21)17-9-12-11(3)7-6-8-16-12/h6-8H,4-5,9-10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid?
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 115431161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).