2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid

C13H22N2O4 — CID 83103583

IUPAC2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H22N2O4/c1-8(2)11(13(17)18)15-5-6-19-7-10(15)12(16)14-9-3-4-9/h8-11H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyPRWRKWSOPJRXKJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.08
Rot. Bonds5

About 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid

2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid (PubChem CID 83103583) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid
PubChem CID83103583
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H22N2O4/c1-8(2)11(13(17)18)15-5-6-19-7-10(15)12(16)14-9-3-4-9/h8-11H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyPRWRKWSOPJRXKJ-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
CID 83101961
4-(2-bromo-3-methylbutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106807
4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105075
4-(2-amino-1-thiophen-2-ylpropyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098163
N-cyclopropyl-4-[2-(methylamino)propanoyl]morpholine-3-carboxamide
CID 83097661
4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)morpholine-3-carboxamide
CID 83095756
4-[(2R)-2-amino-4-methylpentanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 104903912
4-(4-aminopentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096865
5-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methyl-5-oxopentanoic acid
CID 83098608
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
4-(2-amino-3-methylpentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098233
N-cyclopropyl-4-[4-(methylamino)cyclohexyl]morpholine-3-carboxamide
CID 114763535

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid?
The IUPAC name of 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid (CID 83103583) is 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid?
The canonical SMILES for 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid is CC(C)C(C(=O)O)N1CCOCC1C(=O)NC1CC1.
What is the InChIKey of 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid?
The InChIKey is PRWRKWSOPJRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)11(13(17)18)15-5-6-19-7-10(15)12(16)14-9-3-4-9/h8-11H,3-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid?
2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid is sourced from PubChem (CID 83103583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).