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

C12H20N2O4 — CID 116678324

IUPAC2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(C(=O)N1CCOC(CC(=O)O)C1)C1CNC1
InChIInChI=1S/C12H20N2O4/c1-8(9-5-13-6-9)12(17)14-2-3-18-10(7-14)4-11(15)16/h8-10,13H,2-7H2,1H3,(H,15,16)
InChIKeyBOEKVKMTLBYNEL-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.46
Rot. Bonds4

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

2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 116678324) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID116678324
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(C(=O)N1CCOC(CC(=O)O)C1)C1CNC1
InChIInChI=1S/C12H20N2O4/c1-8(9-5-13-6-9)12(17)14-2-3-18-10(7-14)4-11(15)16/h8-10,13H,2-7H2,1H3,(H,15,16)
InChIKeyBOEKVKMTLBYNEL-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 116674265
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119248775
2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid
CID 119248962
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid (CID 116678324) is 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid is CC(C(=O)N1CCOC(CC(=O)O)C1)C1CNC1.
What is the InChIKey of 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is BOEKVKMTLBYNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(9-5-13-6-9)12(17)14-2-3-18-10(7-14)4-11(15)16/h8-10,13H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 116678324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).