tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid

C14H19NO3 — CID 69299043

IUPACtert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C14H19NO3/c1-14(2,3)15(13(17)18)12-10-7-5-4-6-9(10)8-11(12)16/h4-7,11-12,16H,8H2,1-3H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyCUIVGNMNLCATQR-VXGBXAGGSA-N
MW249.31 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid

tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid (PubChem CID 69299043) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
PubChem CID69299043
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C14H19NO3/c1-14(2,3)15(13(17)18)12-10-7-5-4-6-9(10)8-11(12)16/h4-7,11-12,16H,8H2,1-3H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyCUIVGNMNLCATQR-VXGBXAGGSA-N
XLogP2.42
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid
CID 67281529
tert-butyl-[(1S,2R)-1-carbamoyl-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 69235919
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(2R,4R)-4-hydroxy-N,N-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-2,6-diphenylheptanediamide
CID 70049020
[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 69464316
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508614

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The IUPAC name of tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid (CID 69299043) is tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The InChIKey is CUIVGNMNLCATQR-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)15(13(17)18)12-10-7-5-4-6-9(10)8-11(12)16/h4-7,11-12,16H,8H2,1-3H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid has a molecular weight of 249.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid is sourced from PubChem (CID 69299043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).