ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate

C14H25NO4 — CID 67155525

IUPACethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N(CC)C(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H25NO4/c1-6-15(12(17)19-13(3,4)5)14(9-8-10-14)11(16)18-7-2/h6-10H2,1-5H3
InChIKeyQJLAOJKIKQAGHI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds4

About ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate

ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate (PubChem CID 67155525) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
PubChem CID67155525
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N(CC)C(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H25NO4/c1-6-15(12(17)19-13(3,4)5)14(9-8-10-14)11(16)18-7-2/h6-10H2,1-5H3
InChIKeyQJLAOJKIKQAGHI-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
CID 171784493
tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate
CID 84692072
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-methylazepane-4-carboxylic acid
CID 65074907
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857394
3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 64514983
ethyl (3S)-3-[2-methoxyethoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxolane-3-carboxylate
CID 102389624
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
CID 69042568
chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 165439687
ethyl (3R)-3-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidine-3-carboxylate
CID 122397846
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate (CID 67155525) is ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate is CCOC(=O)C1(N(CC)C(=O)OC(C)(C)C)CCC1.
What is the InChIKey of ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The InChIKey is QJLAOJKIKQAGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-15(12(17)19-13(3,4)5)14(9-8-10-14)11(16)18-7-2/h6-10H2,1-5H3.
What are the key properties of ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 67155525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).