[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

C11H13NO3 — CID 68553255

IUPAC[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C11H13NO3/c13-10-3-1-2-7-6-8(12-11(14)15)4-5-9(7)10/h1-3,8,12-13H,4-6H2,(H,14,15)/t8-/m0/s1
InChIKeyWZAYBODNYDHHNK-QMMMGPOBSA-N
MW207.23 g/mol
LogP1.52
Rot. Bonds1

About [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 68553255) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID68553255
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C11H13NO3/c13-10-3-1-2-7-6-8(12-11(14)15)4-5-9(7)10/h1-3,8,12-13H,4-6H2,(H,14,15)/t8-/m0/s1
InChIKeyWZAYBODNYDHHNK-QMMMGPOBSA-N
XLogP1.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 11448303
6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 12581171
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 23635117
N-(5-acetamido-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 19773270
6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 19926577
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122011811
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 105494456
benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 70187498
[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 70190052

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 68553255) is [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is O=C(O)N[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is WZAYBODNYDHHNK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10-3-1-2-7-6-8(12-11(14)15)4-5-9(7)10/h1-3,8,12-13H,4-6H2,(H,14,15)/t8-/m0/s1.
What are the key properties of [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid has a molecular weight of 207.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 68553255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).