[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid

C10H18BNO4 — CID 167739628

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid
SMILESCC(C)(C)OC(=O)NC1CC=C(B(O)O)C1
InChIInChI=1S/C10H18BNO4/c1-10(2,3)16-9(13)12-8-5-4-7(6-8)11(14)15/h4,8,14-15H,5-6H2,1-3H3,(H,12,13)
InChIKeyLHGPYSVXVUJKEC-UHFFFAOYSA-N
MW227.07 g/mol
LogP0.61
Rot. Bonds2

About [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid (PubChem CID 167739628) has the molecular formula C10H18BNO4 and a molecular weight of 227.07 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid
PubChem CID167739628
Molecular FormulaC10H18BNO4
Molecular Weight227.07 g/mol
Exact Mass227.13
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid
SMILESCC(C)(C)OC(=O)NC1CC=C(B(O)O)C1
InChIInChI=1S/C10H18BNO4/c1-10(2,3)16-9(13)12-8-5-4-7(6-8)11(14)15/h4,8,14-15H,5-6H2,1-3H3,(H,12,13)
InChIKeyLHGPYSVXVUJKEC-UHFFFAOYSA-N
XLogP0.61
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexen-1-yl]borinic acid
CID 91828065
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[(1S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate
CID 164585672
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]hept-3-enyl]carbamate
CID 124748419
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(5-amino-1,2,3,4,5,6-hexahydropentalen-2-yl)carbamate
CID 25324803

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid (CID 167739628) is [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid is CC(C)(C)OC(=O)NC1CC=C(B(O)O)C1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid?
The InChIKey is LHGPYSVXVUJKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BNO4/c1-10(2,3)16-9(13)12-8-5-4-7(6-8)11(14)15/h4,8,14-15H,5-6H2,1-3H3,(H,12,13).
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid?
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid has a molecular weight of 227.07 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid is sourced from PubChem (CID 167739628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).