2-[(2S)-2-methylthiolan-2-yl]acetic acid

C7H12O2S — CID 129363672

IUPAC2-[(2S)-2-methylthiolan-2-yl]acetic acid
SMILESC[C@@]1(CC(=O)O)CCCS1
InChIInChI=1S/C7H12O2S/c1-7(5-6(8)9)3-2-4-10-7/h2-5H2,1H3,(H,8,9)/t7-/m0/s1
InChIKeySAAOGNSLESCZGT-ZETCQYMHSA-N
MW160.24 g/mol
LogP1.75
Rot. Bonds2

About 2-[(2S)-2-methylthiolan-2-yl]acetic acid

2-[(2S)-2-methylthiolan-2-yl]acetic acid (PubChem CID 129363672) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-[(2S)-2-methylthiolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-methylthiolan-2-yl]acetic acid
PubChem CID129363672
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-[(2S)-2-methylthiolan-2-yl]acetic acid
SMILESC[C@@]1(CC(=O)O)CCCS1
InChIInChI=1S/C7H12O2S/c1-7(5-6(8)9)3-2-4-10-7/h2-5H2,1H3,(H,8,9)/t7-/m0/s1
InChIKeySAAOGNSLESCZGT-ZETCQYMHSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylthiolan-2-yl)methylamino]butanoic acid
CID 80721729
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
2-[cyclopropyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]acetic acid
CID 80743539
2-amino-3-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80743142
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
1-[(2-methylthiolan-2-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81167261
N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032910
3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
CID 80737620

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylthiolan-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-methylthiolan-2-yl]acetic acid (CID 129363672) is 2-[(2S)-2-methylthiolan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-methylthiolan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-methylthiolan-2-yl]acetic acid is C[C@@]1(CC(=O)O)CCCS1.
What is the InChIKey of 2-[(2S)-2-methylthiolan-2-yl]acetic acid?
The InChIKey is SAAOGNSLESCZGT-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O2S/c1-7(5-6(8)9)3-2-4-10-7/h2-5H2,1H3,(H,8,9)/t7-/m0/s1.
What are the key properties of 2-[(2S)-2-methylthiolan-2-yl]acetic acid?
2-[(2S)-2-methylthiolan-2-yl]acetic acid has a molecular weight of 160.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylthiolan-2-yl]acetic acid is sourced from PubChem (CID 129363672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).