2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid

C7H13NO4S — CID 6562799

IUPAC2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO4S/c1-8(4-7(9)10)6-2-3-13(11,12)5-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyYKGBSBFRRDPBPB-LURJTMIESA-N
MW207.25 g/mol
LogP-0.81
Rot. Bonds3

About 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid

2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid (PubChem CID 6562799) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid
PubChem CID6562799
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO4S/c1-8(4-7(9)10)6-2-3-13(11,12)5-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyYKGBSBFRRDPBPB-LURJTMIESA-N
XLogP-0.81
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Tetrahydro-1,1-dioxido-3-thienyl)glycine
CID 2735704
2-[(1,1-Dioxo-1lambda6-thiolan-3-yl)(methyl)amino]acetic acid
CID 3098779
2-[(1,1-Dioxo-1lambda6-thiolan-3-yl)(methyl)amino]acetic acid hydrochloride
CID 16255385
2-((1,1-Dioxo-1lambda6-thiolan-3-yl)amino)acetic acid hydrochloride
CID 50988792
2-[(1,1-Dioxo-4-sulfothiolan-3-yl)amino]acetic acid
CID 3340993
2-[(1,1-Dioxothiolan-3-yl)(carboxymethyl)amino]acetic acid
CID 2831199
2-[Difluoromethylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 54925505
2-[(1,1-Dioxothiolan-3-yl)-(trifluoromethylsulfonyl)amino]acetic acid
CID 54925507
2-[(1,1-Dioxothiolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 60839388
2-[2,2-Difluoroethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60922552
2-[(1,1-Dioxothiolan-3-yl)-(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566734
2-[(1,1-Dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid
CID 80695437

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid (CID 6562799) is 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid is CN(CC(=O)O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid?
The InChIKey is YKGBSBFRRDPBPB-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO4S/c1-8(4-7(9)10)6-2-3-13(11,12)5-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid?
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid has a molecular weight of 207.25 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetic acid is sourced from PubChem (CID 6562799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).