tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate

C14H25NO3 — CID 165470885

IUPACtert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C(=O)CCC1CC1
InChIInChI=1S/C14H25NO3/c1-10(12(16)8-7-11-5-6-11)9-15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyPMDKFLZQYHAIOP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds6

About tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate

tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate (PubChem CID 165470885) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate
PubChem CID165470885
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C(=O)CCC1CC1
InChIInChI=1S/C14H25NO3/c1-10(12(16)8-7-11-5-6-11)9-15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyPMDKFLZQYHAIOP-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
CID 103390031
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate
CID 169113175
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate?
The IUPAC name of tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate (CID 165470885) is tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate is CC(CNC(=O)OC(C)(C)C)C(=O)CCC1CC1.
What is the InChIKey of tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate?
The InChIKey is PMDKFLZQYHAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(12(16)8-7-11-5-6-11)9-15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate?
tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate is sourced from PubChem (CID 165470885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).