3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide

C11H21N3O3 — CID 64891102

IUPAC3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1(N)CCOC1
InChIInChI=1S/C11H21N3O3/c1-10(2,3)14-8(15)6-13-9(16)11(12)4-5-17-7-11/h4-7,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyFRVJXDPXBOHEHL-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.86
Rot. Bonds3

About 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide (PubChem CID 64891102) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide
PubChem CID64891102
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1(N)CCOC1
InChIInChI=1S/C11H21N3O3/c1-10(2,3)14-8(15)6-13-9(16)11(12)4-5-17-7-11/h4-7,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyFRVJXDPXBOHEHL-UHFFFAOYSA-N
XLogP-0.86
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide (CID 64891102) is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide is CC(C)(C)NC(=O)CNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide?
The InChIKey is FRVJXDPXBOHEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-10(2,3)14-8(15)6-13-9(16)11(12)4-5-17-7-11/h4-7,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide?
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).