2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid

C9H13NO5 — CID 71186618

IUPAC2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCCC(=O)N1C(=O)O
InChIInChI=1S/C9H13NO5/c1-2-15-8(12)6-4-3-5-7(11)10(6)9(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyXHYAXDIPVMAVML-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.61
Rot. Bonds2

About 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid

2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid (PubChem CID 71186618) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
PubChem CID71186618
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCCC(=O)N1C(=O)O
InChIInChI=1S/C9H13NO5/c1-2-15-8(12)6-4-3-5-7(11)10(6)9(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyXHYAXDIPVMAVML-UHFFFAOYSA-N
XLogP0.61
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-1-carbamothioyl-5-oxopyrrolidine-2-carboxylate
CID 45118614
(2S)-2-(3,3-dimethylbutoxycarbonyl)-5-oxopyrrolidine-1-carboxylic acid
CID 174589423
ethyl 1-[4-[(2-ethoxycarbonyl-5-oxopyrrolidine-1-carbonyl)amino]butylcarbamoyl]-5-oxopyrrolidine-2-carboxylate
CID 11626634
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
CID 56991730
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
2-O-benzyl 1-O-tert-butyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 11759402
ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate
CID 71328527
ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
CID 85231054
ethyl 1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-oxopyrrolidine-2-carboxylate
CID 175821432
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
CID 13279466

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid (CID 71186618) is 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid is CCOC(=O)C1CCCC(=O)N1C(=O)O.
What is the InChIKey of 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid?
The InChIKey is XHYAXDIPVMAVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-2-15-8(12)6-4-3-5-7(11)10(6)9(13)14/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid?
2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid has a molecular weight of 215.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 71186618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).