2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid

C12H22N2O4 — CID 66435211

IUPAC2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(C)CCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-9(2)3-4-13-12(17)14-5-6-18-10(8-14)7-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBEYRYLJMTPSRLQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds5

About 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 66435211) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID66435211
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(C)CCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-9(2)3-4-13-12(17)14-5-6-18-10(8-14)7-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBEYRYLJMTPSRLQ-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434839
2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 106340298
2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433511
2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-(2-prop-2-ynylsulfanylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 114187992
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 106105976

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid (CID 66435211) is 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid is CC(C)CCNC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is BEYRYLJMTPSRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)3-4-13-12(17)14-5-6-18-10(8-14)7-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).