2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid

C10H14N2O3S — CID 64990809

IUPAC2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCC(C)N(C=O)C(C)(C(=O)O)c1nccs1
InChIInChI=1S/C10H14N2O3S/c1-7(2)12(6-13)10(3,9(14)15)8-11-4-5-16-8/h4-7H,1-3H3,(H,14,15)
InChIKeyLQHAQBQXKVPQNG-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.31
Rot. Bonds5

About 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid

2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 64990809) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid
PubChem CID64990809
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCC(C)N(C=O)C(C)(C(=O)O)c1nccs1
InChIInChI=1S/C10H14N2O3S/c1-7(2)12(6-13)10(3,9(14)15)8-11-4-5-16-8/h4-7H,1-3H3,(H,14,15)
InChIKeyLQHAQBQXKVPQNG-UHFFFAOYSA-N
XLogP1.31
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid (CID 64990809) is 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid is CC(C)N(C=O)C(C)(C(=O)O)c1nccs1.
What is the InChIKey of 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is LQHAQBQXKVPQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7(2)12(6-13)10(3,9(14)15)8-11-4-5-16-8/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid?
2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 64990809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).