methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate

C15H25NO6 — CID 118409169

IUPACmethyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate
SMILESCCCCOC(=O)N(CC(=O)OC)C1(CC(=O)OC)CCC1
InChIInChI=1S/C15H25NO6/c1-4-5-9-22-14(19)16(11-13(18)21-3)15(7-6-8-15)10-12(17)20-2/h4-11H2,1-3H3
InChIKeyBXEBBFNWVZNVGH-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.88
Rot. Bonds8

About methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate

methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate (PubChem CID 118409169) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate
PubChem CID118409169
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Namemethyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate
SMILESCCCCOC(=O)N(CC(=O)OC)C1(CC(=O)OC)CCC1
InChIInChI=1S/C15H25NO6/c1-4-5-9-22-14(19)16(11-13(18)21-3)15(7-6-8-15)10-12(17)20-2/h4-11H2,1-3H3
InChIKeyBXEBBFNWVZNVGH-UHFFFAOYSA-N
XLogP1.88
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
methyl 2-(1-pentoxycyclobutyl)acetate
CID 103272639
methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate
CID 103272535
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid
CID 71030728
butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate
CID 142668376
butyl N-amino-N-ethylcarbamate
CID 87167247
butyl N-(1-formylcyclopentyl)carbamate
CID 87815678
butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate
CID 142668391
10-O-butyl 1-O-methyl decanedioate
CID 22057000
methyl 2-(1-ethoxycyclobutyl)acetate
CID 103272473

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate (CID 118409169) is methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate is CCCCOC(=O)N(CC(=O)OC)C1(CC(=O)OC)CCC1.
What is the InChIKey of methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate?
The InChIKey is BXEBBFNWVZNVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO6/c1-4-5-9-22-14(19)16(11-13(18)21-3)15(7-6-8-15)10-12(17)20-2/h4-11H2,1-3H3.
What are the key properties of methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate?
methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate has a molecular weight of 315.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[butoxycarbonyl-(2-methoxy-2-oxoethyl)amino]cyclobutyl]acetate is sourced from PubChem (CID 118409169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).