tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate

C16H24N2O3 — CID 117472222

IUPACtert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2(N)CCCC2)ccc1O
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)18-12-10-11(6-7-13(12)19)16(17)8-4-5-9-16/h6-7,10,19H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyHTFYYJBDGQFHCN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate

tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate (PubChem CID 117472222) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate
PubChem CID117472222
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2(N)CCCC2)ccc1O
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)18-12-10-11(6-7-13(12)19)16(17)8-4-5-9-16/h6-7,10,19H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyHTFYYJBDGQFHCN-UHFFFAOYSA-N
XLogP3.47
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-(1-aminocyclopentyl)-2-methylphenyl]carbamate
CID 117112807
tert-butyl N-[5-(1-aminocyclobutyl)-2-methylphenyl]carbamate
CID 117112937
2-[1-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropyl]acetic acid
CID 117492320
tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117117411
tert-butyl N-[5-[1-(aminomethyl)cyclohexyl]-2-bromophenyl]carbamate
CID 117113452
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate
CID 117113193
2-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
CID 117451247
tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117421544
tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate
CID 84711662
tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
CID 117446472
tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate
CID 117491724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate (CID 117472222) is tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(C2(N)CCCC2)ccc1O.
What is the InChIKey of tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate?
The InChIKey is HTFYYJBDGQFHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)18-12-10-11(6-7-13(12)19)16(17)8-4-5-9-16/h6-7,10,19H,4-5,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate?
tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate is sourced from PubChem (CID 117472222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).