2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid

C12H21N3O5 — CID 66435659

IUPAC2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
SMILESCN(C)C(=O)CCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-14(2)10(16)3-4-13-12(19)15-5-6-20-9(8-15)7-11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18)
InChIKeySNEIMLKHOPNCGB-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.65
Rot. Bonds5

About 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid

2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66435659) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66435659
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
SMILESCN(C)C(=O)CCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-14(2)10(16)3-4-13-12(19)15-5-6-20-9(8-15)7-11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18)
InChIKeySNEIMLKHOPNCGB-UHFFFAOYSA-N
XLogP-0.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
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-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-(2-prop-2-ynylsulfanylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 114187992
2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 106105976
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433511
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434515
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid (CID 66435659) is 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid is CN(C)C(=O)CCNC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is SNEIMLKHOPNCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-14(2)10(16)3-4-13-12(19)15-5-6-20-9(8-15)7-11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).