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

C12H22N2O2 — CID 66239455

IUPAC4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide
SMILESCC(C)CN(C(=O)C1COCC1N)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8(2)5-14(9-3-4-9)12(15)10-6-16-7-11(10)13/h8-11H,3-7,13H2,1-2H3
InChIKeyYXOZEZHWTLTCDQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds4

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

4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide (PubChem CID 66239455) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide
PubChem CID66239455
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide
SMILESCC(C)CN(C(=O)C1COCC1N)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8(2)5-14(9-3-4-9)12(15)10-6-16-7-11(10)13/h8-11H,3-7,13H2,1-2H3
InChIKeyYXOZEZHWTLTCDQ-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide (CID 66239455) is 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide is CC(C)CN(C(=O)C1COCC1N)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide?
The InChIKey is YXOZEZHWTLTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)5-14(9-3-4-9)12(15)10-6-16-7-11(10)13/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide?
4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 66239455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).