4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide

C12H21N3O3 — CID 83099136

IUPAC4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)CNC1CC1
InChIInChI=1S/C12H21N3O3/c1-2-13-12(17)10-8-18-6-5-15(10)11(16)7-14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H,13,17)
InChIKeyHLYJRXAEDVUNOQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.90
Rot. Bonds5

About 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide

4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83099136) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83099136
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)CNC1CC1
InChIInChI=1S/C12H21N3O3/c1-2-13-12(17)10-8-18-6-5-15(10)11(16)7-14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H,13,17)
InChIKeyHLYJRXAEDVUNOQ-UHFFFAOYSA-N
XLogP-0.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide
CID 83099413
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097997
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097999
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
2-(cyclopentylamino)-1-(3-ethylmorpholin-4-yl)ethanone
CID 54928560
4-[2-[(2-aminoacetyl)amino]acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83097064

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide (CID 83099136) is 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)CNC1CC1.
What is the InChIKey of 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is HLYJRXAEDVUNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-13-12(17)10-8-18-6-5-15(10)11(16)7-14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H,13,17).
What are the key properties of 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide?
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83099136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).