methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate

C13H23NO4 — CID 103522032

IUPACmethyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)CC1(OC)CCC1
InChIInChI=1S/C13H23NO4/c1-10(12(16)17-3)9-14(2)11(15)8-13(18-4)6-5-7-13/h10H,5-9H2,1-4H3
InChIKeyKXJKOSLETKPHGP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.21
Rot. Bonds6

About methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate (PubChem CID 103522032) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate
PubChem CID103522032
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)CC1(OC)CCC1
InChIInChI=1S/C13H23NO4/c1-10(12(16)17-3)9-14(2)11(15)8-13(18-4)6-5-7-13/h10H,5-9H2,1-4H3
InChIKeyKXJKOSLETKPHGP-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate (CID 103522032) is methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)CC1(OC)CCC1.
What is the InChIKey of methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate?
The InChIKey is KXJKOSLETKPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(12(16)17-3)9-14(2)11(15)8-13(18-4)6-5-7-13/h10H,5-9H2,1-4H3.
What are the key properties of methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate has a molecular weight of 257.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 103522032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).