ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate

C15H27NO4 — CID 104918410

IUPACethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate
SMILESCCOC(=O)C(C(=O)NCC1(OC)CCC1)C(C)(C)C
InChIInChI=1S/C15H27NO4/c1-6-20-13(18)11(14(2,3)4)12(17)16-10-15(19-5)8-7-9-15/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyFYBFAHSHJVZHRQ-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.90
Rot. Bonds6

About ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate

ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate (PubChem CID 104918410) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate
PubChem CID104918410
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate
SMILESCCOC(=O)C(C(=O)NCC1(OC)CCC1)C(C)(C)C
InChIInChI=1S/C15H27NO4/c1-6-20-13(18)11(14(2,3)4)12(17)16-10-15(19-5)8-7-9-15/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyFYBFAHSHJVZHRQ-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate
CID 116538310
2-carbamothioyl-N-[(1-methoxycyclobutyl)methyl]-3-methylbutanamide
CID 114119373
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
ethyl 3,3-dimethyl-2-(3-methylbutylcarbamoyl)butanoate
CID 116537631
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537472
ethyl 3,3-dimethyl-2-(2,4,4-trimethylpentan-2-ylcarbamoyl)butanoate
CID 116537949
diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
CID 103519956
ethyl 3,3-dimethyl-2-(thian-2-ylmethylcarbamoyl)butanoate
CID 116538199
ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
CID 104917991
ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103520334
ethyl 3,3-dimethyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]butanoate
CID 116537961
ethyl 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-3,3-dimethylbutanoate
CID 116537897

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate (CID 104918410) is ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate is CCOC(=O)C(C(=O)NCC1(OC)CCC1)C(C)(C)C.
What is the InChIKey of ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate?
The InChIKey is FYBFAHSHJVZHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-6-20-13(18)11(14(2,3)4)12(17)16-10-15(19-5)8-7-9-15/h11H,6-10H2,1-5H3,(H,16,17).
What are the key properties of ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate?
ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate has a molecular weight of 285.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate is sourced from PubChem (CID 104918410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).