2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid

C9H17NO2S — CID 66097961

IUPAC2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid
SMILESCCC(N)C1(CC(=O)O)CCSC1
InChIInChI=1S/C9H17NO2S/c1-2-7(10)9(5-8(11)12)3-4-13-6-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyBDMOECCMBBYSQQ-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.32
Rot. Bonds4

About 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid

2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid (PubChem CID 66097961) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid
PubChem CID66097961
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid
SMILESCCC(N)C1(CC(=O)O)CCSC1
InChIInChI=1S/C9H17NO2S/c1-2-7(10)9(5-8(11)12)3-4-13-6-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyBDMOECCMBBYSQQ-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid?
The IUPAC name of 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid (CID 66097961) is 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid?
The canonical SMILES for 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid is CCC(N)C1(CC(=O)O)CCSC1.
What is the InChIKey of 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid?
The InChIKey is BDMOECCMBBYSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-7(10)9(5-8(11)12)3-4-13-6-9/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid?
2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid has a molecular weight of 203.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropyl)thiolan-3-yl]acetic acid is sourced from PubChem (CID 66097961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).