2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid

C12H20N2O4 — CID 64617831

IUPAC2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESCCC1COCCN1C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-2-10-8-18-4-3-14(10)12(17)13-6-9(7-13)5-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyNCPCFIKKPBXANI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.62
Rot. Bonds3

About 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid

2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64617831) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64617831
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESCCC1COCCN1C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-2-10-8-18-4-3-14(10)12(17)13-6-9(7-13)5-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyNCPCFIKKPBXANI-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid
CID 61201831
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 102961872
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83095359
2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid
CID 114172612
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617027

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid (CID 64617831) is 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid is CCC1COCCN1C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is NCPCFIKKPBXANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-10-8-18-4-3-14(10)12(17)13-6-9(7-13)5-11(15)16/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).