2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide

C10H21N3O2 — CID 103538003

IUPAC2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
SMILESCOC1CCN(CCC(C)(N)C(N)=O)C1
InChIInChI=1S/C10H21N3O2/c1-10(12,9(11)14)4-6-13-5-3-8(7-13)15-2/h8H,3-7,12H2,1-2H3,(H2,11,14)
InChIKeyWNKPWSWZSYYODT-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.70
Rot. Bonds5

About 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide

2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide (PubChem CID 103538003) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
PubChem CID103538003
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
SMILESCOC1CCN(CCC(C)(N)C(N)=O)C1
InChIInChI=1S/C10H21N3O2/c1-10(12,9(11)14)4-6-13-5-3-8(7-13)15-2/h8H,3-7,12H2,1-2H3,(H2,11,14)
InChIKeyWNKPWSWZSYYODT-UHFFFAOYSA-N
XLogP-0.70
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
2-amino-2-methyl-4-(4-propylpiperidin-1-yl)butanamide
CID 62205252
ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103538027
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 102966479
4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
CID 103538046
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide?
The IUPAC name of 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide (CID 103538003) is 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide?
The canonical SMILES for 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide is COC1CCN(CCC(C)(N)C(N)=O)C1.
What is the InChIKey of 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide?
The InChIKey is WNKPWSWZSYYODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(12,9(11)14)4-6-13-5-3-8(7-13)15-2/h8H,3-7,12H2,1-2H3,(H2,11,14).
What are the key properties of 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide?
2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide has a molecular weight of 215.30 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide is sourced from PubChem (CID 103538003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).