3-(3-aminopropylamino)oxolan-2-one

C7H14N2O2 — CID 89216791

IUPAC3-(3-aminopropylamino)oxolan-2-one
SMILESNCCCNC1CCOC1=O
InChIInChI=1S/C7H14N2O2/c8-3-1-4-9-6-2-5-11-7(6)10/h6,9H,1-5,8H2
InChIKeyTXKIMESYHCUSDK-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.76
Rot. Bonds4

About 3-(3-aminopropylamino)oxolan-2-one

3-(3-aminopropylamino)oxolan-2-one (PubChem CID 89216791) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(3-aminopropylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(3-aminopropylamino)oxolan-2-one
PubChem CID89216791
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(3-aminopropylamino)oxolan-2-one
SMILESNCCCNC1CCOC1=O
InChIInChI=1S/C7H14N2O2/c8-3-1-4-9-6-2-5-11-7(6)10/h6,9H,1-5,8H2
InChIKeyTXKIMESYHCUSDK-UHFFFAOYSA-N
XLogP-0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylamino)oxolan-2-one?
The IUPAC name of 3-(3-aminopropylamino)oxolan-2-one (CID 89216791) is 3-(3-aminopropylamino)oxolan-2-one.
What is the SMILES notation for 3-(3-aminopropylamino)oxolan-2-one?
The canonical SMILES for 3-(3-aminopropylamino)oxolan-2-one is NCCCNC1CCOC1=O.
What is the InChIKey of 3-(3-aminopropylamino)oxolan-2-one?
The InChIKey is TXKIMESYHCUSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-3-1-4-9-6-2-5-11-7(6)10/h6,9H,1-5,8H2.
What are the key properties of 3-(3-aminopropylamino)oxolan-2-one?
3-(3-aminopropylamino)oxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylamino)oxolan-2-one is sourced from PubChem (CID 89216791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).