tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate

C13H24N2O2 — CID 163918974

IUPACtert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate
SMILESCC1CC/C1=C(/N)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-8-6-7-10(8)11(14)9(2)15-12(16)17-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16)/b11-10-/t8?,9-/m0/s1
InChIKeyQYTGRARNPKDOQL-UMUGVNIBSA-N
MW240.35 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate

tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate (PubChem CID 163918974) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate
PubChem CID163918974
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate
SMILESCC1CC/C1=C(/N)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-8-6-7-10(8)11(14)9(2)15-12(16)17-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16)/b11-10-/t8?,9-/m0/s1
InChIKeyQYTGRARNPKDOQL-UMUGVNIBSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
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tert-butyl N-[1-(4-carbamoylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 24688681
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 160991671
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;trifluoromethylcyclohexane
CID 156835510
tert-butyl N-[1-(3-azabicyclo[3.2.0]heptan-3-yl)-1-oxopropan-2-yl]carbamate
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ethyl (2S,3S)-3-cyclopropyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
2-sulfanylpropan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[1-(3-oxocyclopentyl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate (CID 163918974) is tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate is CC1CC/C1=C(/N)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate?
The InChIKey is QYTGRARNPKDOQL-UMUGVNIBSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-8-6-7-10(8)11(14)9(2)15-12(16)17-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16)/b11-10-/t8?,9-/m0/s1.
What are the key properties of tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate?
tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate is sourced from PubChem (CID 163918974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).