tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate

C15H26N2O4 — CID 83101961

IUPACtert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C15H26N2O4/c1-10(14(19)21-15(2,3)4)17-7-8-20-9-12(17)13(18)16-11-5-6-11/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyPXCPZOYJLQUGMC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.70
Rot. Bonds4

About tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate

tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate (PubChem CID 83101961) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
PubChem CID83101961
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C15H26N2O4/c1-10(14(19)21-15(2,3)4)17-7-8-20-9-12(17)13(18)16-11-5-6-11/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyPXCPZOYJLQUGMC-UHFFFAOYSA-N
XLogP0.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid
CID 83103583
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
4-(4-aminopentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096865
4-(2-amino-1-thiophen-2-ylpropyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098163
4-(2-amino-3-methylpentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098233
N-cyclopropyl-4-[2-(methylamino)propanoyl]morpholine-3-carboxamide
CID 83097661
4-(2-bromo-3-methylbutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106807
4-(5-aminohexanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098457
4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404
4-[(2R)-2-amino-4-methylpentanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 104903912
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate?
The IUPAC name of tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate (CID 83101961) is tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate.
What is the SMILES notation for tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate?
The canonical SMILES for tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate is CC(C(=O)OC(C)(C)C)N1CCOCC1C(=O)NC1CC1.
What is the InChIKey of tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate?
The InChIKey is PXCPZOYJLQUGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(14(19)21-15(2,3)4)17-7-8-20-9-12(17)13(18)16-11-5-6-11/h10-12H,5-9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate?
tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate has a molecular weight of 298.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate is sourced from PubChem (CID 83101961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).