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

C13H21NO5 — CID 114240971

IUPAC2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCC1COCCC1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H21NO5/c1-9-8-18-4-2-11(9)13(17)14-3-5-19-10(7-14)6-12(15)16/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyKOJXJYHYGCRKFC-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.36
Rot. Bonds3

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

2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 114240971) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID114240971
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCC1COCCC1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H21NO5/c1-9-8-18-4-2-11(9)13(17)14-3-5-19-10(7-14)6-12(15)16/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyKOJXJYHYGCRKFC-UHFFFAOYSA-N
XLogP0.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114240984
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
CID 119248477
2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125119114
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid (CID 114240971) is 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid is CC1COCCC1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is KOJXJYHYGCRKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-9-8-18-4-2-11(9)13(17)14-3-5-19-10(7-14)6-12(15)16/h9-11H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 271.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 114240971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).