3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide

C9H18N2O3 — CID 104551711

IUPAC3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
SMILESCC(CO)N(C)C(=O)C1(N)CCOC1
InChIInChI=1S/C9H18N2O3/c1-7(5-12)11(2)8(13)9(10)3-4-14-6-9/h7,12H,3-6,10H2,1-2H3
InChIKeyQKAQBZOOSHMKGE-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.06
Rot. Bonds3

About 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide

3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide (PubChem CID 104551711) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
PubChem CID104551711
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
SMILESCC(CO)N(C)C(=O)C1(N)CCOC1
InChIInChI=1S/C9H18N2O3/c1-7(5-12)11(2)8(13)9(10)3-4-14-6-9/h7,12H,3-6,10H2,1-2H3
InChIKeyQKAQBZOOSHMKGE-UHFFFAOYSA-N
XLogP-1.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide (CID 104551711) is 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide is CC(CO)N(C)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide?
The InChIKey is QKAQBZOOSHMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(5-12)11(2)8(13)9(10)3-4-14-6-9/h7,12H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide?
3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 104551711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).