4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide

C11H21N3O3 — CID 115293731

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H21N3O3/c1-8(2)14(7-9(12)15)10(16)11(13)3-5-17-6-4-11/h8H,3-7,13H2,1-2H3,(H2,12,15)
InChIKeyCNSAIYOMMOMKRI-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.78
Rot. Bonds4

About 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide (PubChem CID 115293731) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide
PubChem CID115293731
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H21N3O3/c1-8(2)14(7-9(12)15)10(16)11(13)3-5-17-6-4-11/h8H,3-7,13H2,1-2H3,(H2,12,15)
InChIKeyCNSAIYOMMOMKRI-UHFFFAOYSA-N
XLogP-0.78
TPSA98.65 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 ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide (CID 115293731) is 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide is CC(C)N(CC(N)=O)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide?
The InChIKey is CNSAIYOMMOMKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(2)14(7-9(12)15)10(16)11(13)3-5-17-6-4-11/h8H,3-7,13H2,1-2H3,(H2,12,15).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide is sourced from PubChem (CID 115293731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).