4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide

C12H23N3O3 — CID 113405137

IUPAC4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)C1(C)COCC1N
InChIInChI=1S/C12H23N3O3/c1-8(2)4-14-10(16)5-15-11(17)12(3)7-18-6-9(12)13/h8-9H,4-7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWJRQUGDBTSCPJB-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.76
Rot. Bonds5

About 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide

4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide (PubChem CID 113405137) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide
PubChem CID113405137
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)C1(C)COCC1N
InChIInChI=1S/C12H23N3O3/c1-8(2)4-14-10(16)5-15-11(17)12(3)7-18-6-9(12)13/h8-9H,4-7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWJRQUGDBTSCPJB-UHFFFAOYSA-N
XLogP-0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide (CID 113405137) is 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide is CC(C)CNC(=O)CNC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide?
The InChIKey is WJRQUGDBTSCPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)4-14-10(16)5-15-11(17)12(3)7-18-6-9(12)13/h8-9H,4-7,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide?
4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide is sourced from PubChem (CID 113405137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).