ethane;6-oxopiperidine-2-carboxylic acid

C8H15NO3 — CID 143229288

IUPACethane;6-oxopiperidine-2-carboxylic acid
SMILESCC.O=C1CCCC(C(=O)O)N1
InChIInChI=1S/C6H9NO3.C2H6/c8-5-3-1-2-4(7-5)6(9)10;1-2/h4H,1-3H2,(H,7,8)(H,9,10);1-2H3
InChIKeyPNACSFFOHKYKOW-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.77
Rot. Bonds1

About ethane;6-oxopiperidine-2-carboxylic acid

ethane;6-oxopiperidine-2-carboxylic acid (PubChem CID 143229288) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethane;6-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;6-oxopiperidine-2-carboxylic acid
PubChem CID143229288
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethane;6-oxopiperidine-2-carboxylic acid
SMILESCC.O=C1CCCC(C(=O)O)N1
InChIInChI=1S/C6H9NO3.C2H6/c8-5-3-1-2-4(7-5)6(9)10;1-2/h4H,1-3H2,(H,7,8)(H,9,10);1-2H3
InChIKeyPNACSFFOHKYKOW-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-6-oxopiperidine-2-carboxylate;(2S)-6-oxopiperidine-2-carboxylic acid
CID 157328179
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CID 76973407
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070
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CID 170846266
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
carbamic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 158032480
hexadecan-1-ol;5-oxopyrrolidine-2-carboxylic acid
CID 175097851
hexadecan-1-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 174998702
propan-2-yl (2R)-6-oxopiperidine-2-carboxylate
CID 131042024
(2S)-5,21-dioxo-azacyclohenicosane-2,4-dicarboxylic acid
CID 67201600
(9Z)-5-oxo-2,3,4,6,7,8-hexahydro-1,4-thiazecine-3-carboxylic acid
CID 20503389

Frequently Asked Questions

What is the IUPAC name of ethane;6-oxopiperidine-2-carboxylic acid?
The IUPAC name of ethane;6-oxopiperidine-2-carboxylic acid (CID 143229288) is ethane;6-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for ethane;6-oxopiperidine-2-carboxylic acid?
The canonical SMILES for ethane;6-oxopiperidine-2-carboxylic acid is CC.O=C1CCCC(C(=O)O)N1.
What is the InChIKey of ethane;6-oxopiperidine-2-carboxylic acid?
The InChIKey is PNACSFFOHKYKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.C2H6/c8-5-3-1-2-4(7-5)6(9)10;1-2/h4H,1-3H2,(H,7,8)(H,9,10);1-2H3.
What are the key properties of ethane;6-oxopiperidine-2-carboxylic acid?
ethane;6-oxopiperidine-2-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 143229288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).