2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid

C14H24N2O5 — CID 81196724

IUPAC2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESCC1COC(CO)CN1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H24N2O5/c1-10-8-21-11(7-17)6-16(10)13(20)15-9-14(3-2-4-14)5-12(18)19/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyVZYGMDDMCOZOKZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.42
Rot. Bonds5

About 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81196724) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81196724
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESCC1COC(CO)CN1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H24N2O5/c1-10-8-21-11(7-17)6-16(10)13(20)15-9-14(3-2-4-14)5-12(18)19/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyVZYGMDDMCOZOKZ-UHFFFAOYSA-N
XLogP0.42
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid (CID 81196724) is 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid is CC1COC(CO)CN1C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is VZYGMDDMCOZOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-10-8-21-11(7-17)6-16(10)13(20)15-9-14(3-2-4-14)5-12(18)19/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81196724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).