[(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid

C17H23NO4 — CID 118877356

About [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid

[(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid (PubChem CID 118877356) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid.

Molecular Properties

• Compound Name: [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid
• PubChem CID: 118877356
• Molecular Formula: C17H23NO4
• Molecular Weight: 305.37 g/mol
• Exact Mass: 305.16
• IUPAC Name: [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid
• SMILES: O=C(O)N[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(O)C3)C1
• InChI: InChI=1S/C17H23NO4/c19-10-17(18-16(21)22)6-5-14(9-17)12-1-2-13-8-15(20)4-3-11(13)7-12/h1-2,7,14-15,18-20H,3-6,8-10H2,(H,21,22)/t14-,15?,17+/m0/s1
• InChIKey: DOMGZWXBLYEPGQ-XJIUDMAQSA-N
• XLogP: 1.80
• TPSA: 89.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.37
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid?

The IUPAC name of [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid (CID 118877356) is [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid.

What is the SMILES notation for [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid?

The canonical SMILES for [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid is O=C(O)N[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(O)C3)C1.

What is the InChIKey of [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid?

The InChIKey is DOMGZWXBLYEPGQ-XJIUDMAQSA-N. The full InChI is InChI=1S/C17H23NO4/c19-10-17(18-16(21)22)6-5-14(9-17)12-1-2-13-8-15(20)4-3-11(13)7-12/h1-2,7,14-15,18-20H,3-6,8-10H2,(H,21,22)/t14-,15?,17+/m0/s1.

What are the key properties of [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid?

[(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid has a molecular weight of 305.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S)-1-(hydroxymethyl)-3-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]carbamic acid is sourced from PubChem (CID 118877356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).