3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid

C10H19NO3S — CID 103259883

IUPAC3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
SMILESCOCC(NCC1(C)CCCS1)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-10(4-3-5-15-10)7-11-8(6-14-2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyLADDJPWRFPHZBK-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.96
Rot. Bonds6

About 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid

3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid (PubChem CID 103259883) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
PubChem CID103259883
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
SMILESCOCC(NCC1(C)CCCS1)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-10(4-3-5-15-10)7-11-8(6-14-2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyLADDJPWRFPHZBK-UHFFFAOYSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic 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

2-[(2-methylthiolan-2-yl)methylamino]hexanoic acid
CID 103259903
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
CID 103268359
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
(2S)-3-hydroxy-2-[(2-methylthiolan-2-yl)methylcarbamoylamino]propanoic acid
CID 80744506
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 115728210
2-amino-3-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80743142
2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid
CID 103257016
N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527987
methyl 2-acetamido-3-[(2-methylthiolan-2-yl)methylamino]propanoate
CID 103259913
3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid
CID 103263977

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid (CID 103259883) is 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid is COCC(NCC1(C)CCCS1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid?
The InChIKey is LADDJPWRFPHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(4-3-5-15-10)7-11-8(6-14-2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid?
3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid has a molecular weight of 233.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 103259883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).