4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide

C11H21N3O3 — CID 66240452

IUPAC4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)C1COCC1N
InChIInChI=1S/C11H21N3O3/c1-7(2)13-10(15)4-14(3)11(16)8-5-17-6-9(8)12/h7-9H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyZZFHWIVCJRIEDU-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.06
Rot. Bonds4

About 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide

4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide (PubChem CID 66240452) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
PubChem CID66240452
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)C1COCC1N
InChIInChI=1S/C11H21N3O3/c1-7(2)13-10(15)4-14(3)11(16)8-5-17-6-9(8)12/h7-9H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyZZFHWIVCJRIEDU-UHFFFAOYSA-N
XLogP-1.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
CID 66240457
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
3-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 66010622
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide
CID 66238292
4-amino-N-ethyl-N-propan-2-yloxolane-3-carboxamide
CID 66238409
4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66236255
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
CID 66237284
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
CID 103188603
4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 66239455
4-amino-N-(1-cyanopropan-2-yl)-N-methyloxolane-3-carboxamide
CID 66237705
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide
CID 66240251
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66235837

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide (CID 66240452) is 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide is CC(C)NC(=O)CN(C)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The InChIKey is ZZFHWIVCJRIEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)13-10(15)4-14(3)11(16)8-5-17-6-9(8)12/h7-9H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66240452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).