4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide

C12H20N2O3 — CID 80719997

IUPAC4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide
SMILESCC1(C(=O)NC2CC3CCC2O3)COCC1N
InChIInChI=1S/C12H20N2O3/c1-12(6-16-5-10(12)13)11(15)14-8-4-7-2-3-9(8)17-7/h7-10H,2-6,13H2,1H3,(H,14,15)
InChIKeyMQZSSDSWPMHBRI-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.21
Rot. Bonds2

About 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide

4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide (PubChem CID 80719997) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide
PubChem CID80719997
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide
SMILESCC1(C(=O)NC2CC3CCC2O3)COCC1N
InChIInChI=1S/C12H20N2O3/c1-12(6-16-5-10(12)13)11(15)14-8-4-7-2-3-9(8)17-7/h7-10H,2-6,13H2,1H3,(H,14,15)
InChIKeyMQZSSDSWPMHBRI-UHFFFAOYSA-N
XLogP-0.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-ethylcyclohexyl)-3-methyloxolane-3-carboxamide
CID 66248852
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
CID 113280887
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide
CID 66250852
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66262638
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
CID 66249253
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
CID 80715583
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
3-amino-2,2,3-trimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721255
4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66249428

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide (CID 80719997) is 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide is CC1(C(=O)NC2CC3CCC2O3)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide?
The InChIKey is MQZSSDSWPMHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(6-16-5-10(12)13)11(15)14-8-4-7-2-3-9(8)17-7/h7-10H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide has a molecular weight of 240.30 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 80719997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).