4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide

C12H22N2O3 — CID 66263908

IUPAC4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)C1(C)COCC1N
InChIInChI=1S/C12H22N2O3/c1-12(7-17-6-10(12)13)11(16)14(2)5-8-3-9(15)4-8/h8-10,15H,3-7,13H2,1-2H3
InChIKeyLWPNMYLBHWSDSJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.42
Rot. Bonds3

About 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide

4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide (PubChem CID 66263908) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide
PubChem CID66263908
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)C1(C)COCC1N
InChIInChI=1S/C12H22N2O3/c1-12(7-17-6-10(12)13)11(16)14(2)5-8-3-9(15)4-8/h8-10,15H,3-7,13H2,1-2H3
InChIKeyLWPNMYLBHWSDSJ-UHFFFAOYSA-N
XLogP-0.42
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate
CID 66250642
4-amino-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66250253
4-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66249276
4-amino-N,3-dimethyl-N-propan-2-yloxolane-3-carboxamide
CID 66251169
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
CID 66248643
4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66250254
4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide
CID 66249851
4-amino-N,3-dimethyl-N-(3-phenylpropyl)oxolane-3-carboxamide
CID 66249430
1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80598806
4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide
CID 66250019
4-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-yloxolane-3-carboxamide
CID 66248252
4-amino-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66262615

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide (CID 66263908) is 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide is CN(CC1CC(O)C1)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide?
The InChIKey is LWPNMYLBHWSDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(7-17-6-10(12)13)11(16)14(2)5-8-3-9(15)4-8/h8-10,15H,3-7,13H2,1-2H3.
What are the key properties of 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide?
4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 66263908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).