tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate

C12H23NO3 — CID 155893880

IUPACtert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1(CO)CCC1
InChIInChI=1S/C12H23NO3/c1-9(12(8-14)6-5-7-12)13-10(15)16-11(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyCYLZETFHVROFFI-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate

tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate (PubChem CID 155893880) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
PubChem CID155893880
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1(CO)CCC1
InChIInChI=1S/C12H23NO3/c1-9(12(8-14)6-5-7-12)13-10(15)16-11(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyCYLZETFHVROFFI-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate
CID 153338827
tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate
CID 170168856
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]butan-2-yl]carbamate
CID 107250152
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid
CID 164663917
1-[carboxy-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid
CID 19986920
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid
CID 14629047
(2R,3R)-4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 16743319

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate (CID 155893880) is tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)C1(CO)CCC1.
What is the InChIKey of tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate?
The InChIKey is CYLZETFHVROFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(12(8-14)6-5-7-12)13-10(15)16-11(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate?
tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate is sourced from PubChem (CID 155893880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).