(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid

C10H17NO4 — CID 124844959

IUPAC(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
SMILESCC(C)N1[C@H](C(=O)O)CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(2)11-7(9(12)13)4-3-5-8(11)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKeyHDADRMHPGHXGGW-YUMQZZPRSA-N
MW215.25 g/mol
LogP0.79
Rot. Bonds3

About (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid

(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid (PubChem CID 124844959) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
PubChem CID124844959
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
SMILESCC(C)N1[C@H](C(=O)O)CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(2)11-7(9(12)13)4-3-5-8(11)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKeyHDADRMHPGHXGGW-YUMQZZPRSA-N
XLogP0.79
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844957
1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 141185672
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
piperidine-1,2,6-tricarboxylic acid
CID 22987898
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
1-(4-propan-2-ylpiperazine-1-carbonyl)azepane-2-carboxylic acid
CID 64562136
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(2R,5S)-5-acetyl-1-methylpyrrolidine-2-carboxylic acid
CID 58812271
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid?
The IUPAC name of (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid (CID 124844959) is (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid.
What is the SMILES notation for (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid?
The canonical SMILES for (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid is CC(C)N1[C@H](C(=O)O)CCC[C@H]1C(=O)O.
What is the InChIKey of (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid?
The InChIKey is HDADRMHPGHXGGW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)11-7(9(12)13)4-3-5-8(11)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid?
(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid is sourced from PubChem (CID 124844959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).