2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid

C10H14N2O5S — CID 138001435

IUPAC2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C1CC1)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C10H14N2O5S/c1-7(10(13)14)12(9-2-3-9)18(15,16)6-8-4-5-17-11-8/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)
InChIKeyHBPYLWBVUKOOLI-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.44
Rot. Bonds6

About 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid

2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid (PubChem CID 138001435) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid
PubChem CID138001435
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C1CC1)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C10H14N2O5S/c1-7(10(13)14)12(9-2-3-9)18(15,16)6-8-4-5-17-11-8/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)
InChIKeyHBPYLWBVUKOOLI-UHFFFAOYSA-N
XLogP0.44
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997640
3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
CID 20761928
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 109396018
N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 97217869
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71911225
tert-butyl 4-[cyclopropyl(1,2-oxazol-3-ylmethyl)amino]piperidine-1-carboxylate
CID 126511766
[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 154789710
N-ethyl-N-(1H-indol-5-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 119045405
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 136511539
N-methyl-2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylacetamide
CID 81176958
2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
CID 91643832
2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119186920

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid (CID 138001435) is 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid is CC(C(=O)O)N(C1CC1)S(=O)(=O)Cc1ccon1.
What is the InChIKey of 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid?
The InChIKey is HBPYLWBVUKOOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-7(10(13)14)12(9-2-3-9)18(15,16)6-8-4-5-17-11-8/h4-5,7,9H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid?
2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid has a molecular weight of 274.30 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 138001435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).