2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid

C11H20N2O3S — CID 107297567

IUPAC2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCN(C(=O)NCC1CCSC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-11(2,9(14)15)13(3)10(16)12-6-8-4-5-17-7-8/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyZEXVMFXPABORCU-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid

2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid (PubChem CID 107297567) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
PubChem CID107297567
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCN(C(=O)NCC1CCSC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-11(2,9(14)15)13(3)10(16)12-6-8-4-5-17-7-8/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyZEXVMFXPABORCU-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
2-[tert-butyl(thiolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 107297379
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea
CID 107295561
2-methyl-3-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297462
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
4-methyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297600
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
3-[ethyl(thiolan-3-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 107297478
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
2-[N-(thiolan-3-ylmethylcarbamoyl)anilino]acetic acid
CID 107297593
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid (CID 107297567) is 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid is CN(C(=O)NCC1CCSC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid?
The InChIKey is ZEXVMFXPABORCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(2,9(14)15)13(3)10(16)12-6-8-4-5-17-7-8/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid?
2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid has a molecular weight of 260.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 107297567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).