tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate

C14H19NO3 — CID 28875372

IUPACtert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H](O)c2ccccc21
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-11-8-12(16)10-7-5-4-6-9(10)11/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyREHNRWSWBXHXSB-NWDGAFQWSA-N
MW249.31 g/mol
LogP2.69
Rot. Bonds1

About tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 28875372) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID28875372
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H](O)c2ccccc21
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-11-8-12(16)10-7-5-4-6-9(10)11/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyREHNRWSWBXHXSB-NWDGAFQWSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide
CID 168788131
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 158629693
tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 146389218
tert-butyl N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(trifluoromethyl)phenyl]cyclohexyl]carbamate
CID 139444031
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 150535280
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 178015225
2-(2-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 79973080
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate (CID 28875372) is tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)c2ccccc21.
What is the InChIKey of tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is REHNRWSWBXHXSB-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-11-8-12(16)10-7-5-4-6-9(10)11/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12+/m0/s1.
What are the key properties of tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 28875372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).