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

C14H19NO3 — CID 70190052

IUPAC[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
SMILESCCCN(C(=O)O)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C14H19NO3/c1-2-8-15(14(17)18)11-6-7-12-10(9-11)4-3-5-13(12)16/h3-5,11,16H,2,6-9H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyXYRSZJWLFIYGOQ-NSHDSACASA-N
MW249.31 g/mol
LogP2.64
Rot. Bonds3

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

[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid (PubChem CID 70190052) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid.

Molecular Properties

Compound Name[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
PubChem CID70190052
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
SMILESCCCN(C(=O)O)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C14H19NO3/c1-2-8-15(14(17)18)11-6-7-12-10(9-11)4-3-5-13(12)16/h3-5,11,16H,2,6-9H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyXYRSZJWLFIYGOQ-NSHDSACASA-N
XLogP2.64
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The IUPAC name of [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid (CID 70190052) is [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid.
What is the SMILES notation for [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The canonical SMILES for [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid is CCCN(C(=O)O)[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The InChIKey is XYRSZJWLFIYGOQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-8-15(14(17)18)11-6-7-12-10(9-11)4-3-5-13(12)16/h3-5,11,16H,2,6-9H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of [(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid has a molecular weight of 249.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 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]-propylcarbamic acid is sourced from PubChem (CID 70190052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).