2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid

C10H17NO5S — CID 61263031

IUPAC2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)CC1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C10H17NO5S/c1-10(2,9(13)14)11-8(12)5-7-3-4-17(15,16)6-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFLXPCNFXWMLPIA-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.21
Rot. Bonds4

About 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid

2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 61263031) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID61263031
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)CC1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C10H17NO5S/c1-10(2,9(13)14)11-8(12)5-7-3-4-17(15,16)6-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFLXPCNFXWMLPIA-UHFFFAOYSA-N
XLogP-0.21
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 63193390
2-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55039191
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 107846359
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43649140
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-(1,1-dioxothiolan-3-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65114161
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 113240352
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
1-(1,1-dioxothiolan-3-yl)-4-methylpent-4-en-2-one
CID 105112489
3-[(1,1-dioxothiolan-3-yl)methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821582
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95622373
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid (CID 61263031) is 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)CC1CCS(=O)(=O)C1)C(=O)O.
What is the InChIKey of 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is FLXPCNFXWMLPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-10(2,9(13)14)11-8(12)5-7-3-4-17(15,16)6-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 263.31 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61263031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).