4-(thiolan-3-ylamino)pentanoic acid

C9H17NO2S — CID 103062625

IUPAC4-(thiolan-3-ylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC1CCSC1
InChIInChI=1S/C9H17NO2S/c1-7(2-3-9(11)12)10-8-4-5-13-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyKZAWWPGTBKRETA-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.33
Rot. Bonds5

About 4-(thiolan-3-ylamino)pentanoic acid

4-(thiolan-3-ylamino)pentanoic acid (PubChem CID 103062625) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-(thiolan-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-(thiolan-3-ylamino)pentanoic acid
PubChem CID103062625
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name4-(thiolan-3-ylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC1CCSC1
InChIInChI=1S/C9H17NO2S/c1-7(2-3-9(11)12)10-8-4-5-13-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyKZAWWPGTBKRETA-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-ylamino)pentanoic acid?
The IUPAC name of 4-(thiolan-3-ylamino)pentanoic acid (CID 103062625) is 4-(thiolan-3-ylamino)pentanoic acid.
What is the SMILES notation for 4-(thiolan-3-ylamino)pentanoic acid?
The canonical SMILES for 4-(thiolan-3-ylamino)pentanoic acid is CC(CCC(=O)O)NC1CCSC1.
What is the InChIKey of 4-(thiolan-3-ylamino)pentanoic acid?
The InChIKey is KZAWWPGTBKRETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(2-3-9(11)12)10-8-4-5-13-6-8/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(thiolan-3-ylamino)pentanoic acid?
4-(thiolan-3-ylamino)pentanoic acid has a molecular weight of 203.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-ylamino)pentanoic acid is sourced from PubChem (CID 103062625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).