2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide

C11H21N3O2 — CID 63911495

IUPAC2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide
SMILESCC1COCCN1CC(N)(C(N)=O)C1CC1
InChIInChI=1S/C11H21N3O2/c1-8-6-16-5-4-14(8)7-11(13,10(12)15)9-2-3-9/h8-9H,2-7,13H2,1H3,(H2,12,15)
InChIKeyXTNBIQNRIDXRSN-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.70
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide

2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide (PubChem CID 63911495) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide
PubChem CID63911495
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide
SMILESCC1COCCN1CC(N)(C(N)=O)C1CC1
InChIInChI=1S/C11H21N3O2/c1-8-6-16-5-4-14(8)7-11(13,10(12)15)9-2-3-9/h8-9H,2-7,13H2,1H3,(H2,12,15)
InChIKeyXTNBIQNRIDXRSN-UHFFFAOYSA-N
XLogP-0.70
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide (CID 63911495) is 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide is CC1COCCN1CC(N)(C(N)=O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide?
The InChIKey is XTNBIQNRIDXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-6-16-5-4-14(8)7-11(13,10(12)15)9-2-3-9/h8-9H,2-7,13H2,1H3,(H2,12,15).
What are the key properties of 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide?
2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide has a molecular weight of 227.31 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 63911495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).