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

C13H23NO4 — CID 103520319

IUPACmethyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CC1(OC)CCC1
InChIInChI=1S/C13H23NO4/c1-4-14(9-6-12(16)17-2)11(15)10-13(18-3)7-5-8-13/h4-10H2,1-3H3
InChIKeyOOVBFJSHJHZRNJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.36
Rot. Bonds7

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

methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate (PubChem CID 103520319) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
PubChem CID103520319
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CC1(OC)CCC1
InChIInChI=1S/C13H23NO4/c1-4-14(9-6-12(16)17-2)11(15)10-13(18-3)7-5-8-13/h4-10H2,1-3H3
InChIKeyOOVBFJSHJHZRNJ-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate (CID 103520319) is methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)CC1(OC)CCC1.
What is the InChIKey of methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate?
The InChIKey is OOVBFJSHJHZRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-14(9-6-12(16)17-2)11(15)10-13(18-3)7-5-8-13/h4-10H2,1-3H3.
What are the key properties of methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate?
methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate has a molecular weight of 257.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate is sourced from PubChem (CID 103520319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).