N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide

C11H20N2O3 — CID 86789765

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC(C)(C)CC(N)=O)O1
InChIInChI=1S/C11H20N2O3/c1-7-4-5-8(16-7)10(15)13-11(2,3)6-9(12)14/h7-8H,4-6H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyMBNIXTQHJASRBL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.32
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide (PubChem CID 86789765) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide
PubChem CID86789765
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC(C)(C)CC(N)=O)O1
InChIInChI=1S/C11H20N2O3/c1-7-4-5-8(16-7)10(15)13-11(2,3)6-9(12)14/h7-8H,4-6H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyMBNIXTQHJASRBL-UHFFFAOYSA-N
XLogP0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylpentan-3-yl)-5-methyloxolane-2-carboxamide
CID 81330043
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-5-methyloxolane-2-carboxamide
CID 81327024
2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
CID 81324373
(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945735
N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide
CID 81330656
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781
[(5-methyloxolane-2-carbonyl)amino]thiourea
CID 81327300
N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
CID 106096459
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106096489
N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
CID 115305753
(1S,6R)-6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106095716
6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114142783

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide (CID 86789765) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NC(C)(C)CC(N)=O)O1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is MBNIXTQHJASRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-4-5-8(16-7)10(15)13-11(2,3)6-9(12)14/h7-8H,4-6H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 86789765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).