5-(thiolan-3-ylmethylamino)pentanoic acid

C10H19NO2S — CID 107296968

IUPAC5-(thiolan-3-ylmethylamino)pentanoic acid
SMILESO=C(O)CCCCNCC1CCSC1
InChIInChI=1S/C10H19NO2S/c12-10(13)3-1-2-5-11-7-9-4-6-14-8-9/h9,11H,1-8H2,(H,12,13)
InChIKeyVDTDGICACOHDQI-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.58
Rot. Bonds7

About 5-(thiolan-3-ylmethylamino)pentanoic acid

5-(thiolan-3-ylmethylamino)pentanoic acid (PubChem CID 107296968) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 5-(thiolan-3-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(thiolan-3-ylmethylamino)pentanoic acid
PubChem CID107296968
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name5-(thiolan-3-ylmethylamino)pentanoic acid
SMILESO=C(O)CCCCNCC1CCSC1
InChIInChI=1S/C10H19NO2S/c12-10(13)3-1-2-5-11-7-9-4-6-14-8-9/h9,11H,1-8H2,(H,12,13)
InChIKeyVDTDGICACOHDQI-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(thian-4-ylmethylamino)pentanoic acid
CID 103264300
5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297414
3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297506
4-(cyclopropylmethylamino)butanoic acid
CID 43377785
methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
5-(thian-2-ylmethylamino)pentanoic acid
CID 103257954
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
4-[[2-(thian-3-yl)acetyl]amino]butanoic acid
CID 110837502
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442
N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide
CID 107131903
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174

Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-3-ylmethylamino)pentanoic acid?
The IUPAC name of 5-(thiolan-3-ylmethylamino)pentanoic acid (CID 107296968) is 5-(thiolan-3-ylmethylamino)pentanoic acid.
What is the SMILES notation for 5-(thiolan-3-ylmethylamino)pentanoic acid?
The canonical SMILES for 5-(thiolan-3-ylmethylamino)pentanoic acid is O=C(O)CCCCNCC1CCSC1.
What is the InChIKey of 5-(thiolan-3-ylmethylamino)pentanoic acid?
The InChIKey is VDTDGICACOHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-10(13)3-1-2-5-11-7-9-4-6-14-8-9/h9,11H,1-8H2,(H,12,13).
What are the key properties of 5-(thiolan-3-ylmethylamino)pentanoic acid?
5-(thiolan-3-ylmethylamino)pentanoic acid has a molecular weight of 217.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-3-ylmethylamino)pentanoic acid is sourced from PubChem (CID 107296968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).