(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid

C11H16N2O2 — CID 175401357

IUPAC(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1CCc1ccc[nH]1
InChIInChI=1S/C11H16N2O2/c14-11(15)10-4-2-7-13(10)8-5-9-3-1-6-12-9/h1,3,6,10,12H,2,4-5,7-8H2,(H,14,15)/t10-/m0/s1
InChIKeyHOWVRHPTEAMFDZ-JTQLQIEISA-N
MW208.26 g/mol
LogP1.11
Rot. Bonds4

About (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 175401357) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID175401357
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1CCc1ccc[nH]1
InChIInChI=1S/C11H16N2O2/c14-11(15)10-4-2-7-13(10)8-5-9-3-1-6-12-9/h1,3,6,10,12H,2,4-5,7-8H2,(H,14,15)/t10-/m0/s1
InChIKeyHOWVRHPTEAMFDZ-JTQLQIEISA-N
XLogP1.11
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 11717409
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 119908763
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
(2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122038353
1-[2-(2,5-dihydroxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 25142099
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119913957
1-[2-(2-chloro-6-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750840
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 100681162

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid (CID 175401357) is (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1CCc1ccc[nH]1.
What is the InChIKey of (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HOWVRHPTEAMFDZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11(15)10-4-2-7-13(10)8-5-9-3-1-6-12-9/h1,3,6,10,12H,2,4-5,7-8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175401357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).