(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid

C10H18N2O4S — CID 104861481

IUPAC(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCSC(C)CNC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-6(17-2)4-11-10(16)12-5-7(13)3-8(12)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6?,7?,8-/m0/s1
InChIKeyGDQKMSFRYOSGEE-RRQHEKLDSA-N
MW262.33 g/mol
LogP-0.03
Rot. Bonds4

About (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 104861481) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID104861481
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCSC(C)CNC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-6(17-2)4-11-10(16)12-5-7(13)3-8(12)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6?,7?,8-/m0/s1
InChIKeyGDQKMSFRYOSGEE-RRQHEKLDSA-N
XLogP-0.03
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999398
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
(2R,4R)-4-hydroxy-1-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 79000489
(2S,4S)-4-hydroxy-1-(2-methylsulfanylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714838
(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63843742
(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104864507
4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61200998
(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104861258
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 104861481) is (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid is CSC(C)CNC(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GDQKMSFRYOSGEE-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-6(17-2)4-11-10(16)12-5-7(13)3-8(12)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of -0.03, 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-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104861481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).