tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate

C14H25NO3 — CID 165470929

IUPACtert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate
SMILESCCCCC(=O)C1(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-5-6-7-11(16)14(8-9-14)10-15-12(17)18-13(2,3)4/h5-10H2,1-4H3,(H,15,17)
InChIKeyIXZHFIFAJYNHOX-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds6

About tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate

tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate (PubChem CID 165470929) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate
PubChem CID165470929
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate
SMILESCCCCC(=O)C1(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-5-6-7-11(16)14(8-9-14)10-15-12(17)18-13(2,3)4/h5-10H2,1-4H3,(H,15,17)
InChIKeyIXZHFIFAJYNHOX-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
methyl 1-[[[1-[[[1-[[[1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 100993658
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclopropane-1-carboxylic acid
CID 154533814
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate
CID 175627299
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070
methyl 1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 100953803
octyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 59559115
tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 171767514

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate (CID 165470929) is tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate is CCCCC(=O)C1(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate?
The InChIKey is IXZHFIFAJYNHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-6-7-11(16)14(8-9-14)10-15-12(17)18-13(2,3)4/h5-10H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate?
tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate is sourced from PubChem (CID 165470929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).