tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate

C17H25NO3 — CID 129385774

IUPACtert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
SMILESC[C@@H](O)c1ccc2c(c1)CCC[C@@H]2NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-11(19)12-8-9-14-13(10-12)6-5-7-15(14)18-16(20)21-17(2,3)4/h8-11,15,19H,5-7H2,1-4H3,(H,18,20)/t11-,15+/m1/s1
InChIKeyPDMZMOCMBFURIB-ABAIWWIYSA-N
MW291.39 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate

tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate (PubChem CID 129385774) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
PubChem CID129385774
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
SMILESC[C@@H](O)c1ccc2c(c1)CCC[C@@H]2NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-11(19)12-8-9-14-13(10-12)6-5-7-15(14)18-16(20)21-17(2,3)4/h8-11,15,19H,5-7H2,1-4H3,(H,18,20)/t11-,15+/m1/s1
InChIKeyPDMZMOCMBFURIB-ABAIWWIYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate (CID 129385774) is tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate is C[C@@H](O)c1ccc2c(c1)CCC[C@@H]2NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The InChIKey is PDMZMOCMBFURIB-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(19)12-8-9-14-13(10-12)6-5-7-15(14)18-16(20)21-17(2,3)4/h8-11,15,19H,5-7H2,1-4H3,(H,18,20)/t11-,15+/m1/s1.
What are the key properties of tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate is sourced from PubChem (CID 129385774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).