4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide

C11H23N3O2 — CID 83106373

IUPAC4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CC(C)CN
InChIInChI=1S/C11H23N3O2/c1-3-13-11(15)10-8-16-5-4-14(10)7-9(2)6-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyISIZGWWQBMKCHR-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.58
Rot. Bonds5

About 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide

4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83106373) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83106373
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CC(C)CN
InChIInChI=1S/C11H23N3O2/c1-3-13-11(15)10-8-16-5-4-14(10)7-9(2)6-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyISIZGWWQBMKCHR-UHFFFAOYSA-N
XLogP-0.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83098381
4-[3-(ethylcarbamoyl)morpholin-4-yl]-3-hydroxybutanoic acid
CID 83100116
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
N-ethyl-4-(3-hydrazinyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104053
4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-ethylmorpholine-3-carboxamide
CID 83097772
N-ethyl-4-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104052
hydrazinyl 3-[3-(ethylcarbamoyl)morpholin-4-yl]propanoate
CID 83105070
4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
CID 83099476
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide
CID 83106514
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide (CID 83106373) is 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1CC(C)CN.
What is the InChIKey of 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is ISIZGWWQBMKCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-13-11(15)10-8-16-5-4-14(10)7-9(2)6-12/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide?
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83106373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).