(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid

C10H15N3O4S — CID 104964709

IUPAC(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)c1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C10H15N3O4S/c1-4(2)6-8(18-13-12-6)9(15)11-7(5(3)14)10(16)17/h4-5,7,14H,1-3H3,(H,11,15)(H,16,17)/t5-,7+/m1/s1
InChIKeyQKXDCQJRHLDBQN-VDTYLAMSSA-N
MW273.31 g/mol
LogP0.23
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid (PubChem CID 104964709) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
PubChem CID104964709
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)c1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C10H15N3O4S/c1-4(2)6-8(18-13-12-6)9(15)11-7(5(3)14)10(16)17/h4-5,7,14H,1-3H3,(H,11,15)(H,16,17)/t5-,7+/m1/s1
InChIKeyQKXDCQJRHLDBQN-VDTYLAMSSA-N
XLogP0.23
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid (CID 104964709) is (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid is CC(C)c1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is QKXDCQJRHLDBQN-VDTYLAMSSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-4(2)6-8(18-13-12-6)9(15)11-7(5(3)14)10(16)17/h4-5,7,14H,1-3H3,(H,11,15)(H,16,17)/t5-,7+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104964709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).