3-(thiolan-3-ylamino)propanoic acid

C7H13NO2S — CID 43139948

IUPAC3-(thiolan-3-ylamino)propanoic acid
SMILESO=C(O)CCNC1CCSC1
InChIInChI=1S/C7H13NO2S/c9-7(10)1-3-8-6-2-4-11-5-6/h6,8H,1-5H2,(H,9,10)
InChIKeyHFKVXGVRTCZERT-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.56
Rot. Bonds4

About 3-(thiolan-3-ylamino)propanoic acid

3-(thiolan-3-ylamino)propanoic acid (PubChem CID 43139948) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(thiolan-3-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(thiolan-3-ylamino)propanoic acid
PubChem CID43139948
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(thiolan-3-ylamino)propanoic acid
SMILESO=C(O)CCNC1CCSC1
InChIInChI=1S/C7H13NO2S/c9-7(10)1-3-8-6-2-4-11-5-6/h6,8H,1-5H2,(H,9,10)
InChIKeyHFKVXGVRTCZERT-UHFFFAOYSA-N
XLogP0.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylamino)propanoic acid?
The IUPAC name of 3-(thiolan-3-ylamino)propanoic acid (CID 43139948) is 3-(thiolan-3-ylamino)propanoic acid.
What is the SMILES notation for 3-(thiolan-3-ylamino)propanoic acid?
The canonical SMILES for 3-(thiolan-3-ylamino)propanoic acid is O=C(O)CCNC1CCSC1.
What is the InChIKey of 3-(thiolan-3-ylamino)propanoic acid?
The InChIKey is HFKVXGVRTCZERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-7(10)1-3-8-6-2-4-11-5-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 3-(thiolan-3-ylamino)propanoic acid?
3-(thiolan-3-ylamino)propanoic acid has a molecular weight of 175.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylamino)propanoic acid is sourced from PubChem (CID 43139948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).