2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride

C15H29Cl2N3O2 — CID 120801531

IUPAC2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCC1CC(NC(=O)C(N)C2CCOCC2)CN1C1CC1.Cl.Cl
InChIInChI=1S/C15H27N3O2.2ClH/c1-10-8-12(9-18(10)13-2-3-13)17-15(19)14(16)11-4-6-20-7-5-11;;/h10-14H,2-9,16H2,1H3,(H,17,19);2*1H
InChIKeyVJJXMXHDDCYFFI-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.33
Rot. Bonds4

About 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120801531) has the molecular formula C15H29Cl2N3O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120801531
Molecular FormulaC15H29Cl2N3O2
Molecular Weight354.32 g/mol
Exact Mass353.16
IUPAC Name2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCC1CC(NC(=O)C(N)C2CCOCC2)CN1C1CC1.Cl.Cl
InChIInChI=1S/C15H27N3O2.2ClH/c1-10-8-12(9-18(10)13-2-3-13)17-15(19)14(16)11-4-6-20-7-5-11;;/h10-14H,2-9,16H2,1H3,(H,17,19);2*1H
InChIKeyVJJXMXHDDCYFFI-UHFFFAOYSA-N
XLogP1.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120801531) is 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride is CC1CC(NC(=O)C(N)C2CCOCC2)CN1C1CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is VJJXMXHDDCYFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.2ClH/c1-10-8-12(9-18(10)13-2-3-13)17-15(19)14(16)11-4-6-20-7-5-11;;/h10-14H,2-9,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 354.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120801531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).