tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate

C14H25NO3 — CID 84729309

IUPACtert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate
SMILESCC(C=O)(CC1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-14(4,10-16)9-11-7-5-6-8-11/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyUZMYCLXPMFRFKB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate

tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate (PubChem CID 84729309) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate
PubChem CID84729309
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate
SMILESCC(C=O)(CC1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-14(4,10-16)9-11-7-5-6-8-11/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyUZMYCLXPMFRFKB-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate
CID 123215862
tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate
CID 84723535
tert-butyl N-(2,4-dimethyl-1-oxopentan-2-yl)carbamate
CID 84726178
tert-butyl N-[(2S)-2-methyl-1-oxohexan-2-yl]carbamate
CID 122599124
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
CID 74079206
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
CID 17369174
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
CID 119031291
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
CID 84730029

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate (CID 84729309) is tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate is CC(C=O)(CC1CCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate?
The InChIKey is UZMYCLXPMFRFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-14(4,10-16)9-11-7-5-6-8-11/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate?
tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate is sourced from PubChem (CID 84729309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).