2-(ethylamino)-2-(thiolan-3-yl)acetic acid

C8H15NO2S — CID 107132983

IUPAC2-(ethylamino)-2-(thiolan-3-yl)acetic acid
SMILESCCNC(C(=O)O)C1CCSC1
InChIInChI=1S/C8H15NO2S/c1-2-9-7(8(10)11)6-3-4-12-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyMCBSWATZXAFLAY-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.80
Rot. Bonds4

About 2-(ethylamino)-2-(thiolan-3-yl)acetic acid

2-(ethylamino)-2-(thiolan-3-yl)acetic acid (PubChem CID 107132983) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(ethylamino)-2-(thiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-(thiolan-3-yl)acetic acid
PubChem CID107132983
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-(ethylamino)-2-(thiolan-3-yl)acetic acid
SMILESCCNC(C(=O)O)C1CCSC1
InChIInChI=1S/C8H15NO2S/c1-2-9-7(8(10)11)6-3-4-12-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyMCBSWATZXAFLAY-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539
N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105078063
ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
CID 107133046
2-ethoxy-2-(thiolan-3-yl)acetic acid
CID 107133941
2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide
CID 107132959
N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105153759
2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132908
N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
CID 105158299
2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
2-(4-methoxyanilino)-2-(thiolan-3-yl)acetic acid
CID 107132999

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(thiolan-3-yl)acetic acid?
The IUPAC name of 2-(ethylamino)-2-(thiolan-3-yl)acetic acid (CID 107132983) is 2-(ethylamino)-2-(thiolan-3-yl)acetic acid.
What is the SMILES notation for 2-(ethylamino)-2-(thiolan-3-yl)acetic acid?
The canonical SMILES for 2-(ethylamino)-2-(thiolan-3-yl)acetic acid is CCNC(C(=O)O)C1CCSC1.
What is the InChIKey of 2-(ethylamino)-2-(thiolan-3-yl)acetic acid?
The InChIKey is MCBSWATZXAFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-9-7(8(10)11)6-3-4-12-5-6/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(ethylamino)-2-(thiolan-3-yl)acetic acid?
2-(ethylamino)-2-(thiolan-3-yl)acetic acid has a molecular weight of 189.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(thiolan-3-yl)acetic acid is sourced from PubChem (CID 107132983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).