2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

C15H26N2O5 — CID 107141431

IUPAC2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCC1CN(C2(CC(=O)O)CN(C(=O)OC(C)(C)C)C2)CCO1
InChIInChI=1S/C15H26N2O5/c1-11-8-17(5-6-21-11)15(7-12(18)19)9-16(10-15)13(20)22-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyYKLIRPUBYRIANS-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.17
Rot. Bonds3

About 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 107141431) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
PubChem CID107141431
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCC1CN(C2(CC(=O)O)CN(C(=O)OC(C)(C)C)C2)CCO1
InChIInChI=1S/C15H26N2O5/c1-11-8-17(5-6-21-11)15(7-12(18)19)9-16(10-15)13(20)22-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyYKLIRPUBYRIANS-UHFFFAOYSA-N
XLogP1.17
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid with MolForge

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Related Compounds

2-[3-(3-ethylpyrrolidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141983
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid
CID 107141436
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141592
2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid
CID 131875250
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
2-[6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-6-yl]acetic acid
CID 155893559
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(oxolan-2-ylmethylsulfanyl)azetidin-3-yl]acetic acid
CID 107141297
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-2-yl]acetic acid
CID 177337580
2-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)morpholin-2-yl]acetic acid
CID 129451522
tert-butyl 3-(cyanomethyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxylate
CID 146423956

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 107141431) is 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is CC1CN(C2(CC(=O)O)CN(C(=O)OC(C)(C)C)C2)CCO1.
What is the InChIKey of 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The InChIKey is YKLIRPUBYRIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-11-8-17(5-6-21-11)15(7-12(18)19)9-16(10-15)13(20)22-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid has a molecular weight of 314.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).