2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid

C7H11NO2S — CID 84654690

IUPAC2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CCSC2
InChIInChI=1S/C7H11NO2S/c8-7(5(9)10)3-6(7)1-2-11-4-6/h1-4,8H2,(H,9,10)
InChIKeyAIWSQBAOUFLFRF-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.30
Rot. Bonds1

About 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid

2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid (PubChem CID 84654690) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid
PubChem CID84654690
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CCSC2
InChIInChI=1S/C7H11NO2S/c8-7(5(9)10)3-6(7)1-2-11-4-6/h1-4,8H2,(H,9,10)
InChIKeyAIWSQBAOUFLFRF-UHFFFAOYSA-N
XLogP0.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic 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

CID 88356549
CID 88356549
2-[3-(2-Aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid
CID 79950070
7-Amino-4-thiaspiro[2.5]octane-7-carboxylic acid
CID 82405309
2-Amino-6-thiaspiro[2.5]octane-2-carboxylic acid
CID 83817714
8-Amino-5-thiaspiro[2.5]octane-8-carboxylic acid
CID 83907085
9-Amino-6-thiaspiro[3.5]nonane-9-carboxylic acid
CID 83908400
Methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate
CID 84661088
2-Amino-5-thiaspiro[2.5]octane-2-carboxylic acid
CID 84661090
2-Amino-5,5-dioxo-5lambda6-thiaspiro[2.4]heptane-2-carboxylic acid
CID 84673156
2-Amino-2-[1-(thiolan-3-yl)cyclopropyl]acetic acid
CID 165790531

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid?
The IUPAC name of 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid (CID 84654690) is 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid.
What is the SMILES notation for 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid?
The canonical SMILES for 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid is NC1(C(=O)O)CC12CCSC2.
What is the InChIKey of 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid?
The InChIKey is AIWSQBAOUFLFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c8-7(5(9)10)3-6(7)1-2-11-4-6/h1-4,8H2,(H,9,10).
What are the key properties of 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid?
2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid has a molecular weight of 173.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-thiaspiro[2.4]heptane-2-carboxylic acid is sourced from PubChem (CID 84654690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).