tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid

C14H27NO4 — CID 174621376

IUPACtert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
SMILESCCC1CC(NC(=O)OC(C)(C)C)CC1C.O=CO
InChIInChI=1S/C13H25NO2.CH2O2/c1-6-10-8-11(7-9(10)2)14-12(15)16-13(3,4)5;2-1-3/h9-11H,6-8H2,1-5H3,(H,14,15);1H,(H,2,3)
InChIKeyQBIYHRSWWFOMFN-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.04
Rot. Bonds2

About tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid

tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid (PubChem CID 174621376) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid.

Molecular Properties

Compound Nametert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
PubChem CID174621376
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
SMILESCCC1CC(NC(=O)OC(C)(C)C)CC1C.O=CO
InChIInChI=1S/C13H25NO2.CH2O2/c1-6-10-8-11(7-9(10)2)14-12(15)16-13(3,4)5;2-1-3/h9-11H,6-8H2,1-5H3,(H,14,15);1H,(H,2,3)
InChIKeyQBIYHRSWWFOMFN-UHFFFAOYSA-N
XLogP3.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate
CID 80560509
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 161055882
methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate
CID 59033010
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate
CID 131849638
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752
tert-butyl N-[(3S,5R)-1-acetyl-5-ethylpyrrolidin-3-yl]carbamate
CID 143810553

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid?
The IUPAC name of tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid (CID 174621376) is tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid.
What is the SMILES notation for tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid?
The canonical SMILES for tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid is CCC1CC(NC(=O)OC(C)(C)C)CC1C.O=CO.
What is the InChIKey of tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid?
The InChIKey is QBIYHRSWWFOMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.CH2O2/c1-6-10-8-11(7-9(10)2)14-12(15)16-13(3,4)5;2-1-3/h9-11H,6-8H2,1-5H3,(H,14,15);1H,(H,2,3).
What are the key properties of tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid?
tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid has a molecular weight of 273.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid is sourced from PubChem (CID 174621376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).