(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid

C11H19N3O2S — CID 122050568

IUPAC(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
SMILESCCCc1nsc(N[C@H](C(=O)O)[C@@H](C)CC)n1
InChIInChI=1S/C11H19N3O2S/c1-4-6-8-12-11(17-14-8)13-9(10(15)16)7(3)5-2/h7,9H,4-6H2,1-3H3,(H,15,16)(H,12,13,14)/t7-,9-/m0/s1
InChIKeyDQZQVULEBUTHQL-CBAPKCEASA-N
MW257.36 g/mol
LogP2.40
Rot. Bonds7

About (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid

(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid (PubChem CID 122050568) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
PubChem CID122050568
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
SMILESCCCc1nsc(N[C@H](C(=O)O)[C@@H](C)CC)n1
InChIInChI=1S/C11H19N3O2S/c1-4-6-8-12-11(17-14-8)13-9(10(15)16)7(3)5-2/h7,9H,4-6H2,1-3H3,(H,15,16)(H,12,13,14)/t7-,9-/m0/s1
InChIKeyDQZQVULEBUTHQL-CBAPKCEASA-N
XLogP2.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid (CID 122050568) is (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid is CCCc1nsc(N[C@H](C(=O)O)[C@@H](C)CC)n1.
What is the InChIKey of (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The InChIKey is DQZQVULEBUTHQL-CBAPKCEASA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-6-8-12-11(17-14-8)13-9(10(15)16)7(3)5-2/h7,9H,4-6H2,1-3H3,(H,15,16)(H,12,13,14)/t7-,9-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid has a molecular weight of 257.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid is sourced from PubChem (CID 122050568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).