ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate

C14H23NO6 — CID 144870583

IUPACethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate
SMILESCCOC(=O)C1(C)CCC1.CN(OC=O)C(=O)CCC=O
InChIInChI=1S/C8H14O2.C6H9NO4/c1-3-10-7(9)8(2)5-4-6-8;1-7(11-5-9)6(10)3-2-4-8/h3-6H2,1-2H3;4-5H,2-3H2,1H3
InChIKeySBZXRPNILMTCQT-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.25
Rot. Bonds7

About ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate

ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate (PubChem CID 144870583) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate.

Molecular Properties

Compound Nameethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate
PubChem CID144870583
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Nameethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate
SMILESCCOC(=O)C1(C)CCC1.CN(OC=O)C(=O)CCC=O
InChIInChI=1S/C8H14O2.C6H9NO4/c1-3-10-7(9)8(2)5-4-6-8;1-7(11-5-9)6(10)3-2-4-8/h3-6H2,1-2H3;4-5H,2-3H2,1H3
InChIKeySBZXRPNILMTCQT-UHFFFAOYSA-N
XLogP1.25
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate?
The IUPAC name of ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate (CID 144870583) is ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate.
What is the SMILES notation for ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate?
The canonical SMILES for ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate is CCOC(=O)C1(C)CCC1.CN(OC=O)C(=O)CCC=O.
What is the InChIKey of ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate?
The InChIKey is SBZXRPNILMTCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H9NO4/c1-3-10-7(9)8(2)5-4-6-8;1-7(11-5-9)6(10)3-2-4-8/h3-6H2,1-2H3;4-5H,2-3H2,1H3.
What are the key properties of ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate?
ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate has a molecular weight of 301.34 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methylcyclobutane-1-carboxylate;[methyl(4-oxobutanoyl)amino] formate is sourced from PubChem (CID 144870583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).