3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide

C10H20N2O2 — CID 70991065

IUPAC3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide
SMILESCOCC1(NC(=O)CC(C)(C)N)CC1
InChIInChI=1S/C10H20N2O2/c1-9(2,11)6-8(13)12-10(4-5-10)7-14-3/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyVGBDZNBBGAWCCC-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.41
Rot. Bonds5

About 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide

3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide (PubChem CID 70991065) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide
PubChem CID70991065
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide
SMILESCOCC1(NC(=O)CC(C)(C)N)CC1
InChIInChI=1S/C10H20N2O2/c1-9(2,11)6-8(13)12-10(4-5-10)7-14-3/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyVGBDZNBBGAWCCC-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide (CID 70991065) is 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide is COCC1(NC(=O)CC(C)(C)N)CC1.
What is the InChIKey of 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide?
The InChIKey is VGBDZNBBGAWCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,11)6-8(13)12-10(4-5-10)7-14-3/h4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide?
3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide has a molecular weight of 200.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(methoxymethyl)cyclopropyl]-3-methylbutanamide is sourced from PubChem (CID 70991065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).