tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate

C14H25NO3 — CID 169113175

IUPACtert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate
SMILESC[C@@H](CCC(=O)C1CC1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10(5-8-12(16)11-6-7-11)9-15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyDSPBGEUHRJSYJR-JTQLQIEISA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds6

About tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate

tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate (PubChem CID 169113175) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate
PubChem CID169113175
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate
SMILESC[C@@H](CCC(=O)C1CC1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10(5-8-12(16)11-6-7-11)9-15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyDSPBGEUHRJSYJR-JTQLQIEISA-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

tert-butyl N-(3-cyclobutyl-3-oxopropyl)carbamate
CID 66787499
tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate
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tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate
CID 165470885
tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate
CID 131977667
5-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 138487677
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
methyl 5-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 174948057
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate (CID 169113175) is tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate is C[C@@H](CCC(=O)C1CC1)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate?
The InChIKey is DSPBGEUHRJSYJR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(5-8-12(16)11-6-7-11)9-15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate?
tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-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-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate is sourced from PubChem (CID 169113175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).