[(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid

C14H20N2O3 — CID 67281529

IUPAC[(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H]1c2cc(N)ccc2C[C@@H]1O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)16(13(18)19)12-10-7-9(15)5-4-8(10)6-11(12)17/h4-5,7,11-12,17H,6,15H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKeySRLOVDWMCNQVKZ-RYUDHWBXSA-N
MW264.32 g/mol
LogP2.01
Rot. Bonds1

About [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid

[(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid (PubChem CID 67281529) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid
PubChem CID67281529
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H]1c2cc(N)ccc2C[C@@H]1O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)16(13(18)19)12-10-7-9(15)5-4-8(10)6-11(12)17/h4-5,7,11-12,17H,6,15H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKeySRLOVDWMCNQVKZ-RYUDHWBXSA-N
XLogP2.01
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid?
The IUPAC name of [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid (CID 67281529) is [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid.
What is the SMILES notation for [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid?
The canonical SMILES for [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@H]1c2cc(N)ccc2C[C@@H]1O.
What is the InChIKey of [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid?
The InChIKey is SRLOVDWMCNQVKZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)16(13(18)19)12-10-7-9(15)5-4-8(10)6-11(12)17/h4-5,7,11-12,17H,6,15H2,1-3H3,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid?
[(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid has a molecular weight of 264.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid is sourced from PubChem (CID 67281529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).