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

C10H19N3O2S — CID 54233677

IUPAC(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
SMILESCSCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H19N3O2S/c1-16-6-4-7(11)10(15)13-5-2-3-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8-/m0/s1
InChIKeyQLAQZNNRYBCFFO-YUMQZZPRSA-N
MW245.35 g/mol
LogP-0.46
Rot. Bonds5

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

(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 54233677) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID54233677
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
SMILESCSCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H19N3O2S/c1-16-6-4-7(11)10(15)13-5-2-3-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8-/m0/s1
InChIKeyQLAQZNNRYBCFFO-YUMQZZPRSA-N
XLogP-0.46
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
CID 164883606
ethyl 1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-2-carboxylate
CID 104907897
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104908334
(2R)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-4-methylsulfanylbutan-1-one
CID 104908618
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 145457052
5-amino-2-[[5-amino-2-[[1-(2-amino-4-methylsulfanylbutanoyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 19999244
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104907803
6-amino-2-[[1-(2-amino-4-methylsulfanylbutanoyl)pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 18222957
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 145457041
4-amino-2-[[2-[[1-(2-amino-4-methylsulfanylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid
CID 19999200

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide (CID 54233677) is (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide is CSCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is QLAQZNNRYBCFFO-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-16-6-4-7(11)10(15)13-5-2-3-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 245.35 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54233677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).