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

C12H20N2O3 — CID 114411830

IUPAC2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)N1CC=C(C)CC1)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-4-12(3,10(15)16)13-11(17)14-7-5-9(2)6-8-14/h5H,4,6-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUUGCRATVAZJWTM-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.60
Rot. Bonds3

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

2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid (PubChem CID 114411830) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
PubChem CID114411830
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)N1CC=C(C)CC1)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-4-12(3,10(15)16)13-11(17)14-7-5-9(2)6-8-14/h5H,4,6-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUUGCRATVAZJWTM-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'}

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Related Compounds

3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 114412000
2,2-dimethyl-4-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114411236
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
ethyl 3,3-dimethyl-2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)butanoate
CID 114382905
5,5-dimethyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
CID 114412004
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
3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114411947
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 102961867
3-amino-3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409499
2-bromo-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114408480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid (CID 114411830) is 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)N1CC=C(C)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid?
The InChIKey is UUGCRATVAZJWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-12(3,10(15)16)13-11(17)14-7-5-9(2)6-8-14/h5H,4,6-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid?
2-methyl-2-[(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 2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114411830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).