3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid

C12H20N2O3 — CID 114411887

IUPAC3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
SMILESCC1=CCN(C(=O)NC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-9-4-6-14(7-5-9)11(17)13-12(2,3)8-10(15)16/h4H,5-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyKRDYYORJCUTTEX-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.60
Rot. Bonds3

About 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid

3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid (PubChem CID 114411887) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
PubChem CID114411887
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
SMILESCC1=CCN(C(=O)NC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-9-4-6-14(7-5-9)11(17)13-12(2,3)8-10(15)16/h4H,5-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyKRDYYORJCUTTEX-UHFFFAOYSA-N
XLogP1.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411830
2,2-dimethyl-4-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114411236
5,5-dimethyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
CID 114412004
3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114411947
3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
CID 64701995
3-methyl-3-[(5-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 64699564
3-amino-3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409499
2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 114412000
2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114412030
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
CID 114412200

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid (CID 114411887) is 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid is CC1=CCN(C(=O)NC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid?
The InChIKey is KRDYYORJCUTTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-4-6-14(7-5-9)11(17)13-12(2,3)8-10(15)16/h4H,5-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid?
3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114411887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).