4-amino-N-(2-methylpropyl)oxolane-3-carboxamide

C9H18N2O2 — CID 66239389

IUPAC4-amino-N-(2-methylpropyl)oxolane-3-carboxamide
SMILESCC(C)CNC(=O)C1COCC1N
InChIInChI=1S/C9H18N2O2/c1-6(2)3-11-9(12)7-4-13-5-8(7)10/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyUOVXUJGGKRIQLS-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.27
Rot. Bonds3

About 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide

4-amino-N-(2-methylpropyl)oxolane-3-carboxamide (PubChem CID 66239389) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)oxolane-3-carboxamide
PubChem CID66239389
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-amino-N-(2-methylpropyl)oxolane-3-carboxamide
SMILESCC(C)CNC(=O)C1COCC1N
InChIInChI=1S/C9H18N2O2/c1-6(2)3-11-9(12)7-4-13-5-8(7)10/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyUOVXUJGGKRIQLS-UHFFFAOYSA-N
XLogP-0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide (CID 66239389) is 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide is CC(C)CNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide?
The InChIKey is UOVXUJGGKRIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)3-11-9(12)7-4-13-5-8(7)10/h6-8H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide?
4-amino-N-(2-methylpropyl)oxolane-3-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 66239389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).