(4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide

C14H22N4O4S — CID 13312535

IUPAC(4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CSC[C@@H]1C(N)=O
InChIInChI=1S/C14H22N4O4S/c1-2-3-9(17-13(21)8-4-5-11(19)16-8)14(22)18-7-23-6-10(18)12(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,19)(H,17,21)/t8-,9-,10+/m0/s1
InChIKeyLEVZKWYOAYVGDF-LPEHRKFASA-N
MW342.42 g/mol
LogP-1.06
Rot. Bonds6

About (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 13312535) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID13312535
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name(4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CSC[C@@H]1C(N)=O
InChIInChI=1S/C14H22N4O4S/c1-2-3-9(17-13(21)8-4-5-11(19)16-8)14(22)18-7-23-6-10(18)12(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,19)(H,17,21)/t8-,9-,10+/m0/s1
InChIKeyLEVZKWYOAYVGDF-LPEHRKFASA-N
XLogP-1.06
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide (CID 13312535) is (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide is CCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CSC[C@@H]1C(N)=O.
What is the InChIKey of (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LEVZKWYOAYVGDF-LPEHRKFASA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-2-3-9(17-13(21)8-4-5-11(19)16-8)14(22)18-7-23-6-10(18)12(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,19)(H,17,21)/t8-,9-,10+/m0/s1.
What are the key properties of (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 13312535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).