(2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid

C10H17NO4 — CID 97052315

IUPAC(2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid
SMILESCCN1[C@@H](C(=O)O)CC[C@@]1(CC)C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-10(9(14)15)6-5-7(8(12)13)11(10)4-2/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7-,10+/m1/s1
InChIKeyLWNCPHCIPYDOAN-XCBNKYQSSA-N
MW215.25 g/mol
LogP0.79
Rot. Bonds4

About (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid

(2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid (PubChem CID 97052315) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name(2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid
PubChem CID97052315
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid
SMILESCCN1[C@@H](C(=O)O)CC[C@@]1(CC)C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-10(9(14)15)6-5-7(8(12)13)11(10)4-2/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7-,10+/m1/s1
InChIKeyLWNCPHCIPYDOAN-XCBNKYQSSA-N
XLogP0.79
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

1,5,5-trimethylpiperidine-2-carboxylic acid
CID 118119871
2-ethyl-1-(4-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 83075872
1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059785
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid
CID 71498111
1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid
CID 138632226
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
CID 99996887

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid?
The IUPAC name of (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid (CID 97052315) is (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid.
What is the SMILES notation for (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid?
The canonical SMILES for (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid is CCN1[C@@H](C(=O)O)CC[C@@]1(CC)C(=O)O.
What is the InChIKey of (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid?
The InChIKey is LWNCPHCIPYDOAN-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-10(9(14)15)6-5-7(8(12)13)11(10)4-2/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7-,10+/m1/s1.
What are the key properties of (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid?
(2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid is sourced from PubChem (CID 97052315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).