4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide

C11H22N2O4 — CID 103950695

IUPAC4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide
SMILESCOCC(CCO)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C11H22N2O4/c1-16-8-9(2-5-14)13-10(15)11(12)3-6-17-7-4-11/h9,14H,2-8,12H2,1H3,(H,13,15)
InChIKeyUVTJEALAOQFLQB-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.99
Rot. Bonds6

About 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide

4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide (PubChem CID 103950695) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide
PubChem CID103950695
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide
SMILESCOCC(CCO)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C11H22N2O4/c1-16-8-9(2-5-14)13-10(15)11(12)3-6-17-7-4-11/h9,14H,2-8,12H2,1H3,(H,13,15)
InChIKeyUVTJEALAOQFLQB-UHFFFAOYSA-N
XLogP-0.99
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide (CID 103950695) is 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide is COCC(CCO)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide?
The InChIKey is UVTJEALAOQFLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-16-8-9(2-5-14)13-10(15)11(12)3-6-17-7-4-11/h9,14H,2-8,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide?
4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 103950695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).