(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid

C10H17NO4 — CID 124744772

IUPAC(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid
SMILESCC(C)N1CCC[C@@H](C(=O)O)[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(2)11-5-3-4-7(9(12)13)8(11)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1
InChIKeyBMBBCRPFKASUHV-SFYZADRCSA-N
MW215.25 g/mol
LogP0.64
Rot. Bonds3

About (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid

(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid (PubChem CID 124744772) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid
PubChem CID124744772
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid
SMILESCC(C)N1CCC[C@@H](C(=O)O)[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(2)11-5-3-4-7(9(12)13)8(11)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1
InChIKeyBMBBCRPFKASUHV-SFYZADRCSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107072433
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96603802
1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid
CID 126689000
1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 176761287
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787164
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid?
The IUPAC name of (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid (CID 124744772) is (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid.
What is the SMILES notation for (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid?
The canonical SMILES for (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid is CC(C)N1CCC[C@@H](C(=O)O)[C@H]1C(=O)O.
What is the InChIKey of (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid?
The InChIKey is BMBBCRPFKASUHV-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)11-5-3-4-7(9(12)13)8(11)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid?
(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid is sourced from PubChem (CID 124744772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).