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

C12H21NO4 — CID 103529731

IUPACmethyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CC1(OC)CCC1
InChIInChI=1S/C12H21NO4/c1-13(8-5-11(15)16-2)10(14)9-12(17-3)6-4-7-12/h4-9H2,1-3H3
InChIKeyVQNXAIOVOOSYOF-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds6

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

methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate (PubChem CID 103529731) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate
PubChem CID103529731
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CC1(OC)CCC1
InChIInChI=1S/C12H21NO4/c1-13(8-5-11(15)16-2)10(14)9-12(17-3)6-4-7-12/h4-9H2,1-3H3
InChIKeyVQNXAIOVOOSYOF-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
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]propanoate?
The IUPAC name of methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate (CID 103529731) is methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate is COC(=O)CCN(C)C(=O)CC1(OC)CCC1.
What is the InChIKey of methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate?
The InChIKey is VQNXAIOVOOSYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13(8-5-11(15)16-2)10(14)9-12(17-3)6-4-7-12/h4-9H2,1-3H3.
What are the key properties of methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate?
methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 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]propanoate is sourced from PubChem (CID 103529731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).