N-(3-aminopropyl)oxolane-2-carboxamide

C8H16N2O2 — CID 24711806

IUPACN-(3-aminopropyl)oxolane-2-carboxamide
SMILESNCCCNC(=O)C1CCCO1
InChIInChI=1S/C8H16N2O2/c9-4-2-5-10-8(11)7-3-1-6-12-7/h7H,1-6,9H2,(H,10,11)
InChIKeyYBRJUTUSCDUHPG-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds4

About N-(3-aminopropyl)oxolane-2-carboxamide

N-(3-aminopropyl)oxolane-2-carboxamide (PubChem CID 24711806) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(3-aminopropyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)oxolane-2-carboxamide
PubChem CID24711806
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(3-aminopropyl)oxolane-2-carboxamide
SMILESNCCCNC(=O)C1CCCO1
InChIInChI=1S/C8H16N2O2/c9-4-2-5-10-8(11)7-3-1-6-12-7/h7H,1-6,9H2,(H,10,11)
InChIKeyYBRJUTUSCDUHPG-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
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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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)oxolane-2-carboxamide (CID 24711806) is N-(3-aminopropyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)oxolane-2-carboxamide is NCCCNC(=O)C1CCCO1.
What is the InChIKey of N-(3-aminopropyl)oxolane-2-carboxamide?
The InChIKey is YBRJUTUSCDUHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-4-2-5-10-8(11)7-3-1-6-12-7/h7H,1-6,9H2,(H,10,11).
What are the key properties of N-(3-aminopropyl)oxolane-2-carboxamide?
N-(3-aminopropyl)oxolane-2-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)oxolane-2-carboxamide is sourced from PubChem (CID 24711806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).