(2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide

C11H21N3O2S — CID 164883606

IUPAC(2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
SMILESCN[C@@H](CCSC)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H21N3O2S/c1-13-8(5-7-17-2)11(16)14-6-3-4-9(14)10(12)15/h8-9,13H,3-7H2,1-2H3,(H2,12,15)/t8-,9-/m0/s1
InChIKeyHSYUOMNZOMMTNI-IUCAKERBSA-N
MW259.37 g/mol
LogP-0.20
Rot. Bonds6

About (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 164883606) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID164883606
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name(2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
SMILESCN[C@@H](CCSC)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H21N3O2S/c1-13-8(5-7-17-2)11(16)14-6-3-4-9(14)10(12)15/h8-9,13H,3-7H2,1-2H3,(H2,12,15)/t8-,9-/m0/s1
InChIKeyHSYUOMNZOMMTNI-IUCAKERBSA-N
XLogP-0.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
CID 54233677
(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid
CID 175816463
2-[[1-[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 18485828
2-[[1-[5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 18312929
2-[[1-[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 18233666
2-[[1-[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid
CID 18237621
2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 18221121
1-[1-[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 18237632
(2R)-1-[(2S)-4-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 145456866
1-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid
CID 18487755
(2S)-1-[2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 22822731
2-[[1-[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 22697669

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide (CID 164883606) is (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide is CN[C@@H](CCSC)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is HSYUOMNZOMMTNI-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-13-8(5-7-17-2)11(16)14-6-3-4-9(14)10(12)15/h8-9,13H,3-7H2,1-2H3,(H2,12,15)/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 164883606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).