(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid

C9H15NO4 — CID 123940472

IUPAC(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid
SMILESCC[C@H]1CC[C@H](C(=O)O)CN1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-7-4-3-6(8(11)12)5-10(7)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
InChIKeyWUDAWGLVDXQWCY-BQBZGAKWSA-N
MW201.22 g/mol
LogP1.24
Rot. Bonds2

About (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid

(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid (PubChem CID 123940472) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid
PubChem CID123940472
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid
SMILESCC[C@H]1CC[C@H](C(=O)O)CN1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-7-4-3-6(8(11)12)5-10(7)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
InChIKeyWUDAWGLVDXQWCY-BQBZGAKWSA-N
XLogP1.24
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694621
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone
CID 95774523
3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79689061
5-ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 60857611
1-O-benzyl 3-O-methyl 6-ethylpiperidine-1,3-dicarboxylate
CID 67044013

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid?
The IUPAC name of (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid (CID 123940472) is (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid?
The canonical SMILES for (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid is CC[C@H]1CC[C@H](C(=O)O)CN1C(=O)O.
What is the InChIKey of (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid?
The InChIKey is WUDAWGLVDXQWCY-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-7-4-3-6(8(11)12)5-10(7)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1.
What are the key properties of (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid?
(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 123940472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).