ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate

C13H22N2O4 — CID 83103871

IUPACethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
SMILESCCOC(=O)CCN1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H22N2O4/c1-2-19-12(16)5-6-15-7-8-18-9-11(15)13(17)14-10-3-4-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyZMNKQSXDHUKUDB-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.08
Rot. Bonds6

About ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate

ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate (PubChem CID 83103871) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
PubChem CID83103871
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
SMILESCCOC(=O)CCN1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H22N2O4/c1-2-19-12(16)5-6-15-7-8-18-9-11(15)13(17)14-10-3-4-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyZMNKQSXDHUKUDB-UHFFFAOYSA-N
XLogP-0.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

hydrazinyl 3-[3-(ethylcarbamoyl)morpholin-4-yl]propanoate
CID 83105070
4-(2-azidoethyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83103569
4-(4-aminopentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096865
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250
4-(5-aminohexanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098457
ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate
CID 83100533
N-ethyl-4-(3-hydrazinyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104053
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
CID 83103448
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106386
4-(2-amino-3-methylpentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098233

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate?
The IUPAC name of ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate (CID 83103871) is ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate?
The canonical SMILES for ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate is CCOC(=O)CCN1CCOCC1C(=O)NC1CC1.
What is the InChIKey of ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate?
The InChIKey is ZMNKQSXDHUKUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-19-12(16)5-6-15-7-8-18-9-11(15)13(17)14-10-3-4-10/h10-11H,2-9H2,1H3,(H,14,17).
What are the key properties of ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate?
ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate has a molecular weight of 270.33 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate is sourced from PubChem (CID 83103871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).