4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid

C12H14N2O5 — CID 114074932

IUPAC4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
SMILESCOC(=O)c1ccnc(N2CCOCC2C(=O)O)c1
InChIInChI=1S/C12H14N2O5/c1-18-12(17)8-2-3-13-10(6-8)14-4-5-19-7-9(14)11(15)16/h2-3,6,9H,4-5,7H2,1H3,(H,15,16)
InChIKeyMSKDDCWSYVXMAG-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.16
Rot. Bonds3

About 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid

4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid (PubChem CID 114074932) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
PubChem CID114074932
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
SMILESCOC(=O)c1ccnc(N2CCOCC2C(=O)O)c1
InChIInChI=1S/C12H14N2O5/c1-18-12(17)8-2-3-13-10(6-8)14-4-5-19-7-9(14)11(15)16/h2-3,6,9H,4-5,7H2,1H3,(H,15,16)
InChIKeyMSKDDCWSYVXMAG-UHFFFAOYSA-N
XLogP0.16
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid
CID 117009158
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid
CID 83101946
4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid
CID 66455443
methyl 2-(2-bromopiperidin-1-yl)pyridine-4-carboxylate
CID 175100446
4-(3-methylpyrazin-2-yl)morpholine-3-carboxylic acid
CID 83064675
methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate
CID 114075028
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
N-cyclopropyl-4-[4-(1-hydroxyethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83102212
methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate
CID 113451826
methyl 2-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616340
methyl 2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616339
4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid
CID 117009152

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid (CID 114074932) is 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid is COC(=O)c1ccnc(N2CCOCC2C(=O)O)c1.
What is the InChIKey of 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid?
The InChIKey is MSKDDCWSYVXMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-18-12(17)8-2-3-13-10(6-8)14-4-5-19-7-9(14)11(15)16/h2-3,6,9H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid?
4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 114074932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).