(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H20N2O4S — CID 104864507

IUPAC(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCSC(C)(C)CNC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-11(2,18-3)6-12-10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,4-6H2,1-3H3,(H,12,17)(H,15,16)/t7?,8-/m0/s1
InChIKeyRCWPQFPCZJKFRT-MQWKRIRWSA-N
MW276.36 g/mol
LogP0.36
Rot. Bonds4

About (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 104864507) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID104864507
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCSC(C)(C)CNC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-11(2,18-3)6-12-10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,4-6H2,1-3H3,(H,12,17)(H,15,16)/t7?,8-/m0/s1
InChIKeyRCWPQFPCZJKFRT-MQWKRIRWSA-N
XLogP0.36
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106279083
(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63858835
(2S,4S)-4-hydroxy-1-(2-methylsulfanylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714838
(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104861481
(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115356653
(2R,4R)-1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115356743
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2R,4R)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860996
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103995936
(2S,4S)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104861012

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 104864507) is (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid is CSC(C)(C)CNC(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RCWPQFPCZJKFRT-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(2,18-3)6-12-10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,4-6H2,1-3H3,(H,12,17)(H,15,16)/t7?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104864507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).