4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid

C12H22N2O4 — CID 83102944

IUPAC4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
SMILESCCCNC(=O)C1COCCN1CCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-5-13-12(17)10-9-18-8-7-14(10)6-3-4-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeySQVAIYHNASQGPR-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds7

About 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid

4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid (PubChem CID 83102944) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
PubChem CID83102944
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
SMILESCCCNC(=O)C1COCCN1CCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-5-13-12(17)10-9-18-8-7-14(10)6-3-4-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeySQVAIYHNASQGPR-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
4-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylbutanoic acid
CID 83098790
N-propyl-4-(3-pyrrolidin-2-ylpropyl)morpholine-3-carboxamide
CID 83099806
4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide
CID 83097968
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propylmorpholine-3-carboxamide
CID 104751044
4-(2-cyclopentyl-2-oxoethyl)-N-propylmorpholine-3-carboxamide
CID 104751046
4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
CID 83099476
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
N-ethyl-4-(3-hydrazinyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104053
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
CID 83106592
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321

Frequently Asked Questions

What is the IUPAC name of 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid?
The IUPAC name of 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid (CID 83102944) is 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid?
The canonical SMILES for 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid is CCCNC(=O)C1COCCN1CCCC(=O)O.
What is the InChIKey of 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid?
The InChIKey is SQVAIYHNASQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-5-13-12(17)10-9-18-8-7-14(10)6-3-4-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid?
4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid is sourced from PubChem (CID 83102944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).