2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid

C10H17NO3S — CID 129468360

IUPAC2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
SMILESCS[C@@H](C)C(=O)N1CCC[C@H]1CC(=O)O
InChIInChI=1S/C10H17NO3S/c1-7(15-2)10(14)11-5-3-4-8(11)6-9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyHQBSJVCETNYYIS-YUMQZZPRSA-N
MW231.32 g/mol
LogP1.20
Rot. Bonds4

About 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid

2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 129468360) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
PubChem CID129468360
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
SMILESCS[C@@H](C)C(=O)N1CCC[C@H]1CC(=O)O
InChIInChI=1S/C10H17NO3S/c1-7(15-2)10(14)11-5-3-4-8(11)6-9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyHQBSJVCETNYYIS-YUMQZZPRSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one;hydrochloride
CID 119631035
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300
2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
CID 103929702
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
2-[1-[methyl(3-methylsulfanylpropyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114237788
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79541210
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 80549892
(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
CID 95323894
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 104552989
2-[1-(2-phenylmethoxypropanoyl)pyrrolidin-2-yl]acetic acid
CID 61372049
2-[1-[cyclopropylmethyl(propan-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55000168
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid (CID 129468360) is 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid is CS[C@@H](C)C(=O)N1CCC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is HQBSJVCETNYYIS-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(15-2)10(14)11-5-3-4-8(11)6-9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid?
2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 231.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 129468360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).