2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide

C10H20N2O2 — CID 116501952

IUPAC2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)C(NCC1CC1)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-7(6-14-2)9(10(11)13)12-5-8-3-4-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyCBNAXUXEEWNFML-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds7

About 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide

2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide (PubChem CID 116501952) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide
PubChem CID116501952
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)C(NCC1CC1)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-7(6-14-2)9(10(11)13)12-5-8-3-4-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyCBNAXUXEEWNFML-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide?
The IUPAC name of 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide (CID 116501952) is 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide is COCC(C)C(NCC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide?
The InChIKey is CBNAXUXEEWNFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(6-14-2)9(10(11)13)12-5-8-3-4-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide?
2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide has a molecular weight of 200.28 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 116501952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).