methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate

C18H25NO4 — CID 118564830

IUPACmethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
SMILESCOC(=O)c1ccc(C2(NC(=O)OC(C)(C)C)CCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-18(11-5-6-12-18)14-9-7-13(8-10-14)15(20)22-4/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeySKCARVYTWJGNIO-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.77
Rot. Bonds3

About methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate

methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate (PubChem CID 118564830) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
PubChem CID118564830
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namemethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
SMILESCOC(=O)c1ccc(C2(NC(=O)OC(C)(C)C)CCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-18(11-5-6-12-18)14-9-7-13(8-10-14)15(20)22-4/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeySKCARVYTWJGNIO-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[1-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carbonyl]amino]cyclopropyl]benzoate
CID 163364914
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate
CID 72685520
methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 66665070
tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate
CID 58326444
methyl 4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]amino]ethyl]benzoate
CID 174186419
tert-butyl (2R)-2-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]piperidine-1-carboxylate
CID 86731619
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408
methyl 4-(1-hydroxycyclopentyl)benzoate
CID 130120514
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
CID 138554710

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate?
The IUPAC name of methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate (CID 118564830) is methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate.
What is the SMILES notation for methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate?
The canonical SMILES for methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate is COC(=O)c1ccc(C2(NC(=O)OC(C)(C)C)CCCC2)cc1.
What is the InChIKey of methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate?
The InChIKey is SKCARVYTWJGNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-18(11-5-6-12-18)14-9-7-13(8-10-14)15(20)22-4/h7-10H,5-6,11-12H2,1-4H3,(H,19,21).
What are the key properties of methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate?
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate has a molecular weight of 319.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate is sourced from PubChem (CID 118564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).