tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate

C12H23NO4 — CID 146599452

IUPACtert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(OCCCO)C1
InChIInChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13-9-7-10(8-9)16-6-4-5-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyKLXDAIWIHBGYEJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.44
Rot. Bonds5

About tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate

tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate (PubChem CID 146599452) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate
PubChem CID146599452
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(OCCCO)C1
InChIInChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13-9-7-10(8-9)16-6-4-5-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyKLXDAIWIHBGYEJ-UHFFFAOYSA-N
XLogP1.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
[(1S,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohept-3-en-1-yl] acetate
CID 11369222
tert-butyl N-[3-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclobutyl]carbamate
CID 106309457
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
CID 163950000
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate
CID 103759643
tert-butyl N-(3-sulfinooxycyclobutyl)carbamate
CID 146249113
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate (CID 146599452) is tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(OCCCO)C1.
What is the InChIKey of tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate?
The InChIKey is KLXDAIWIHBGYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13-9-7-10(8-9)16-6-4-5-14/h9-10,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate?
tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate has a molecular weight of 245.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate is sourced from PubChem (CID 146599452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).