tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate

C17H24N2O3 — CID 107682742

IUPACtert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-15-9-14(15)18-13-7-4-10-8-11(20)5-6-12(10)13/h5-6,8,13-15,18,20H,4,7,9H2,1-3H3,(H,19,21)
InChIKeyKFJPVZJJEUELGG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate (PubChem CID 107682742) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
PubChem CID107682742
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-15-9-14(15)18-13-7-4-10-8-11(20)5-6-12(10)13/h5-6,8,13-15,18,20H,4,7,9H2,1-3H3,(H,19,21)
InChIKeyKFJPVZJJEUELGG-UHFFFAOYSA-N
XLogP2.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107237644
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
tert-butyl N-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclopropyl]carbamate
CID 107237762
tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate
CID 107237938
tert-butyl N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 165051742
tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 164592811
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107682749
1-[(3-methylcyclobutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682661
tert-butyl N-[1-(oxetan-3-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103744815
5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
CID 164982080
tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate
CID 107248561
tert-butyl N-[2-[1-(2,4-dihydroxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107237842

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate (CID 107682742) is tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NC1CCc2cc(O)ccc21.
What is the InChIKey of tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate?
The InChIKey is KFJPVZJJEUELGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-15-9-14(15)18-13-7-4-10-8-11(20)5-6-12(10)13/h5-6,8,13-15,18,20H,4,7,9H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107682742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).