2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid

C14H24N2O5 — CID 83034767

IUPAC2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCC1(C)CC(NC(=O)N2CCOC(CC(=O)O)C2)CCO1
InChIInChI=1S/C14H24N2O5/c1-14(2)8-10(3-5-21-14)15-13(19)16-4-6-20-11(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQULYMOYZGIEYLZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.83
Rot. Bonds3

About 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 83034767) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID83034767
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCC1(C)CC(NC(=O)N2CCOC(CC(=O)O)C2)CCO1
InChIInChI=1S/C14H24N2O5/c1-14(2)8-10(3-5-21-14)15-13(19)16-4-6-20-11(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQULYMOYZGIEYLZ-UHFFFAOYSA-N
XLogP0.83
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433295
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433739
2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434709
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[(2-ethylcyclohexyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433704
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 106216443
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
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-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid (CID 83034767) is 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid is CC1(C)CC(NC(=O)N2CCOC(CC(=O)O)C2)CCO1.
What is the InChIKey of 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is QULYMOYZGIEYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2)8-10(3-5-21-14)15-13(19)16-4-6-20-11(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 83034767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).