(2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H20N2O3S — CID 78955144

IUPAC(2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCSCC(C)CNC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-8(7-17-2)6-12-11(16)13-5-3-4-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8?,9-/m0/s1
InChIKeyWZRFRZVJWAKZHR-GKAPJAKFSA-N
MW260.36 g/mol
LogP1.24
Rot. Bonds5

About (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78955144) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78955144
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCSCC(C)CNC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-8(7-17-2)6-12-11(16)13-5-3-4-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8?,9-/m0/s1
InChIKeyWZRFRZVJWAKZHR-GKAPJAKFSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-cyclopropylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104863962
2-methyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383140
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
1-[(2S)-2-methyl-3-methylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 69024152
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
(2S)-1-(2-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954942
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78955144) is (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid is CSCC(C)CNC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WZRFRZVJWAKZHR-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(7-17-2)6-12-11(16)13-5-3-4-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78955144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).