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

C11H18N2O3 — CID 115766428

IUPACethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H18N2O3/c1-3-16-10(14)8-12-11(15)13-6-4-9(2)5-7-13/h4H,3,5-8H2,1-2H3,(H,12,15)
InChIKeyCCRXMFCBGSJJBF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.91
Rot. Bonds3

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

ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate (PubChem CID 115766428) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
PubChem CID115766428
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H18N2O3/c1-3-16-10(14)8-12-11(15)13-6-4-9(2)5-7-13/h4H,3,5-8H2,1-2H3,(H,12,15)
InChIKeyCCRXMFCBGSJJBF-UHFFFAOYSA-N
XLogP0.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 114412000
3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114411947
ethyl 3,3-dimethyl-2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)butanoate
CID 114382905
2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114412030
2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411830
3-amino-3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409499
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate
CID 112697824
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61206204
N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72921925

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate (CID 115766428) is ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CC=C(C)CC1.
What is the InChIKey of ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate?
The InChIKey is CCRXMFCBGSJJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-16-10(14)8-12-11(15)13-6-4-9(2)5-7-13/h4H,3,5-8H2,1-2H3,(H,12,15).
What are the key properties of ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate?
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate has a molecular weight of 226.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate is sourced from PubChem (CID 115766428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).