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

C10H18N2O5S — CID 61265369

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCN(C(=O)NC(C)(C)C(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O5S/c1-10(2,8(13)14)11-9(15)12(3)7-4-5-18(16,17)6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyZWEUTPVHMCUNDQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.32
Rot. Bonds3

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

2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 61265369) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID61265369
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCN(C(=O)NC(C)(C)C(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O5S/c1-10(2,8(13)14)11-9(15)12(3)7-4-5-18(16,17)6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyZWEUTPVHMCUNDQ-UHFFFAOYSA-N
XLogP-0.32
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65265770
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821840
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-methylprop-1-enyl)urea
CID 108909960
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
CID 43649063
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
3-[(E)-2,3-dimethylbut-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108914751
2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 61266565
3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108060
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid (CID 61265369) is 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid is CN(C(=O)NC(C)(C)C(=O)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is ZWEUTPVHMCUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-10(2,8(13)14)11-9(15)12(3)7-4-5-18(16,17)6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 278.33 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61265369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).