(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid

C8H13NO4 — CID 1263680

IUPAC(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4/c1-2-13-8(12)9-5-3-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyIJDOTHRWLOAOAC-LURJTMIESA-N
MW187.19 g/mol
LogP0.69
Rot. Bonds2

About (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid

(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 1263680) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID1263680
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4/c1-2-13-8(12)9-5-3-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyIJDOTHRWLOAOAC-LURJTMIESA-N
XLogP0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
CID 10976836
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid
CID 70196600
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
1-ethoxycarbonylpiperidine-2-carboxylate
CID 71341440
ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate
CID 12515616
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394
1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242
(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid (CID 1263680) is (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid is CCOC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is IJDOTHRWLOAOAC-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-13-8(12)9-5-3-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 1263680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).