3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid

C10H14N2O5S2 — CID 60827825

IUPAC3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H14N2O5S2/c1-6-9(18-10(15)11-6)19(16,17)12(7-2-3-7)5-4-8(13)14/h7H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyDMODUTALHHFYJV-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.37
Rot. Bonds6

About 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid

3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid (PubChem CID 60827825) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
PubChem CID60827825
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H14N2O5S2/c1-6-9(18-10(15)11-6)19(16,17)12(7-2-3-7)5-4-8(13)14/h7H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyDMODUTALHHFYJV-UHFFFAOYSA-N
XLogP0.37
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid (CID 60827825) is 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The InChIKey is DMODUTALHHFYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-6-9(18-10(15)11-6)19(16,17)12(7-2-3-7)5-4-8(13)14/h7H,2-5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid has a molecular weight of 306.37 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid is sourced from PubChem (CID 60827825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).