N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide

C10H20N2O3 — CID 63754560

IUPACN-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide
SMILESCOCC(N)CN(C)C(=O)C1CCOC1
InChIInChI=1S/C10H20N2O3/c1-12(5-9(11)7-14-2)10(13)8-3-4-15-6-8/h8-9H,3-7,11H2,1-2H3
InChIKeyCNBGPOVMPCKWPD-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.55
Rot. Bonds5

About N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide

N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide (PubChem CID 63754560) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide
PubChem CID63754560
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide
SMILESCOCC(N)CN(C)C(=O)C1CCOC1
InChIInChI=1S/C10H20N2O3/c1-12(5-9(11)7-14-2)10(13)8-3-4-15-6-8/h8-9H,3-7,11H2,1-2H3
InChIKeyCNBGPOVMPCKWPD-UHFFFAOYSA-N
XLogP-0.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide (CID 63754560) is N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide is COCC(N)CN(C)C(=O)C1CCOC1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide?
The InChIKey is CNBGPOVMPCKWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12(5-9(11)7-14-2)10(13)8-3-4-15-6-8/h8-9H,3-7,11H2,1-2H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide?
N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 63754560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).