(2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide

C11H20N4O2S — CID 56739136

IUPAC(2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H]1CSCN1C
InChIInChI=1S/C11H20N4O2S/c1-13-10(16)8-3-7(12)4-15(8)11(17)9-5-18-6-14(9)2/h7-9H,3-6,12H2,1-2H3,(H,13,16)/t7-,8-,9-/m0/s1
InChIKeyCNUXURJFJGJMMY-CIUDSAMLSA-N
MW272.37 g/mol
LogP-1.33
Rot. Bonds2

About (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 56739136) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID56739136
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name(2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H]1CSCN1C
InChIInChI=1S/C11H20N4O2S/c1-13-10(16)8-3-7(12)4-15(8)11(17)9-5-18-6-14(9)2/h7-9H,3-6,12H2,1-2H3,(H,13,16)/t7-,8-,9-/m0/s1
InChIKeyCNUXURJFJGJMMY-CIUDSAMLSA-N
XLogP-1.33
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56720955
(2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707644
ethane;3-methyl-1,3-thiazolidine-4-carboxamide
CID 178176734
(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 56710973
(2S,4S)-4-amino-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 56710422
(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56718530
(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide
CID 56717984
(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 56748375
(2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 56705779
(2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56710618
(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 56710407
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 56739136) is (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H]1CSCN1C.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is CNUXURJFJGJMMY-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-13-10(16)8-3-7(12)4-15(8)11(17)9-5-18-6-14(9)2/h7-9H,3-6,12H2,1-2H3,(H,13,16)/t7-,8-,9-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56739136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).