1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

C8H11NO4 — CID 70614874

IUPAC1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCOC(=O)N1CC=C(C(=O)O)CC1
InChIInChI=1S/C8H11NO4/c1-13-8(12)9-4-2-6(3-5-9)7(10)11/h2H,3-5H2,1H3,(H,10,11)
InChIKeyWGZNXIQJBNIAGU-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.47
Rot. Bonds1

About 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 70614874) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID70614874
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCOC(=O)N1CC=C(C(=O)O)CC1
InChIInChI=1S/C8H11NO4/c1-13-8(12)9-4-2-6(3-5-9)7(10)11/h2H,3-5H2,1H3,(H,10,11)
InChIKeyWGZNXIQJBNIAGU-UHFFFAOYSA-N
XLogP0.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 57230016
1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 70609871
methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 15565780
methyl 3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxylate
CID 68686285
1-methylsulfonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 152661850
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
3,3-dimethyl-2-(1-prop-2-enoxycarbonyl-3,6-dihydro-2H-pyridine-4-carbonyl)butanoic acid
CID 57316223
ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 13067814
methyl 3,4,5,8-tetrahydro-1H-isoquinoline-2-carboxylate
CID 155934530
tert-butyl 4-[(1E,3Z)-1-amino-2-methoxycarbonylhexa-1,3,5-trienyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 88903546
methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163383041
tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 174476603

Frequently Asked Questions

What is the IUPAC name of 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 70614874) is 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is COC(=O)N1CC=C(C(=O)O)CC1.
What is the InChIKey of 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is WGZNXIQJBNIAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-13-8(12)9-4-2-6(3-5-9)7(10)11/h2H,3-5H2,1H3,(H,10,11).
What are the key properties of 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 70614874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).