2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid

C13H20N2O2S — CID 129324249

IUPAC2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid
SMILESC[C@]1(NCC(=O)O)CCN(CCc2cccs2)C1
InChIInChI=1S/C13H20N2O2S/c1-13(14-9-12(16)17)5-7-15(10-13)6-4-11-3-2-8-18-11/h2-3,8,14H,4-7,9-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyKMFJIEHOYDGIPG-ZDUSSCGKSA-N
MW268.38 g/mol
LogP1.43
Rot. Bonds6

About 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid

2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid (PubChem CID 129324249) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid
PubChem CID129324249
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid
SMILESC[C@]1(NCC(=O)O)CCN(CCc2cccs2)C1
InChIInChI=1S/C13H20N2O2S/c1-13(14-9-12(16)17)5-7-15(10-13)6-4-11-3-2-8-18-11/h2-3,8,14H,4-7,9-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyKMFJIEHOYDGIPG-ZDUSSCGKSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 115305099
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 67904685
(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 133110763
2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
CID 129323811
2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane
CID 82038614
2-[[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]amino]acetic acid
CID 167871164
N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 67904225
3-methyl-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 63146335
3-ethyl-3-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane
CID 64870140
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid (CID 129324249) is 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid is C[C@]1(NCC(=O)O)CCN(CCc2cccs2)C1.
What is the InChIKey of 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid?
The InChIKey is KMFJIEHOYDGIPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(14-9-12(16)17)5-7-15(10-13)6-4-11-3-2-8-18-11/h2-3,8,14H,4-7,9-10H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid?
2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid has a molecular weight of 268.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 129324249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).