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

C14H24N2O3 — CID 114412000

IUPAC2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N1CC=C(C)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-4-14(5-2,12(17)18)10-15-13(19)16-8-6-11(3)7-9-16/h6H,4-5,7-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyNFHOBRPCTFESDL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.24
Rot. Bonds5

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

2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid (PubChem CID 114412000) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
PubChem CID114412000
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N1CC=C(C)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-4-14(5-2,12(17)18)10-15-13(19)16-8-6-11(3)7-9-16/h6H,4-5,7-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyNFHOBRPCTFESDL-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428
2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411830
3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114411947
2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114412030
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-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308752
2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 115431112
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 122126682
3-amino-3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409499

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid (CID 114412000) is 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)N1CC=C(C)CC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid?
The InChIKey is NFHOBRPCTFESDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-14(5-2,12(17)18)10-15-13(19)16-8-6-11(3)7-9-16/h6H,4-5,7-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 114412000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).