(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 174164435

IUPAC(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCCN1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-2-13-7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyHEOSQOZCLQPHQZ-UWVGGRQHSA-N
MW240.30 g/mol
LogP0.55
Rot. Bonds3

About (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 174164435) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID174164435
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCCN1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-2-13-7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyHEOSQOZCLQPHQZ-UWVGGRQHSA-N
XLogP0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
CID 142681934
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64564669
(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365140
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 174164435) is (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is CCN1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HEOSQOZCLQPHQZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-13-7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10-/m0/s1.
What are the key properties of (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174164435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).