(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane

C9H21NO2S2 — CID 160932725

IUPAC(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
SMILESCC(C)CN1CCC[C@H]1C(=O)O.S.S
InChIInChI=1S/C9H17NO2.2H2S/c1-7(2)6-10-5-3-4-8(10)9(11)12;;/h7-8H,3-6H2,1-2H3,(H,11,12);2*1H2/t8-;;/m0../s1
InChIKeySTLXOZSACKOUJO-JZGIKJSDSA-N
MW239.41 g/mol
LogP1.42
Rot. Bonds3

About (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane

(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane (PubChem CID 160932725) has the molecular formula C9H21NO2S2 and a molecular weight of 239.41 g/mol. Its IUPAC name is (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane.

Molecular Properties

Compound Name(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
PubChem CID160932725
Molecular FormulaC9H21NO2S2
Molecular Weight239.41 g/mol
Exact Mass239.10
IUPAC Name(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
SMILESCC(C)CN1CCC[C@H]1C(=O)O.S.S
InChIInChI=1S/C9H17NO2.2H2S/c1-7(2)6-10-5-3-4-8(10)9(11)12;;/h7-8H,3-6H2,1-2H3,(H,11,12);2*1H2/t8-;;/m0../s1
InChIKeySTLXOZSACKOUJO-JZGIKJSDSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)azetidine-2-carboxylic acid
CID 22132132
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2S)-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174909490
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
CID 66737893
CID 66737893
(2S)-1-[(2R)-2-amino-3-sulfanylpropyl]pyrrolidine-2-carboxylic acid
CID 86749247
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122036591
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxylic acid
CID 155262305

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane?
The IUPAC name of (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane (CID 160932725) is (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane.
What is the SMILES notation for (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane?
The canonical SMILES for (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane is CC(C)CN1CCC[C@H]1C(=O)O.S.S.
What is the InChIKey of (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane?
The InChIKey is STLXOZSACKOUJO-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H17NO2.2H2S/c1-7(2)6-10-5-3-4-8(10)9(11)12;;/h7-8H,3-6H2,1-2H3,(H,11,12);2*1H2/t8-;;/m0../s1.
What are the key properties of (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane?
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane has a molecular weight of 239.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane is sourced from PubChem (CID 160932725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).