N-(4-amino-2-methylbutyl)oxolane-3-carboxamide

C10H20N2O2 — CID 66090198

IUPACN-(4-amino-2-methylbutyl)oxolane-3-carboxamide
SMILESCC(CCN)CNC(=O)C1CCOC1
InChIInChI=1S/C10H20N2O2/c1-8(2-4-11)6-12-10(13)9-3-5-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyGBMOPMGKBIGOQZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds5

About N-(4-amino-2-methylbutyl)oxolane-3-carboxamide

N-(4-amino-2-methylbutyl)oxolane-3-carboxamide (PubChem CID 66090198) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)oxolane-3-carboxamide
PubChem CID66090198
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(4-amino-2-methylbutyl)oxolane-3-carboxamide
SMILESCC(CCN)CNC(=O)C1CCOC1
InChIInChI=1S/C10H20N2O2/c1-8(2-4-11)6-12-10(13)9-3-5-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyGBMOPMGKBIGOQZ-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)oxolane-3-carboxamide?
The IUPAC name of N-(4-amino-2-methylbutyl)oxolane-3-carboxamide (CID 66090198) is N-(4-amino-2-methylbutyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)oxolane-3-carboxamide is CC(CCN)CNC(=O)C1CCOC1.
What is the InChIKey of N-(4-amino-2-methylbutyl)oxolane-3-carboxamide?
The InChIKey is GBMOPMGKBIGOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2-4-11)6-12-10(13)9-3-5-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of N-(4-amino-2-methylbutyl)oxolane-3-carboxamide?
N-(4-amino-2-methylbutyl)oxolane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)oxolane-3-carboxamide is sourced from PubChem (CID 66090198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).