(1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid

C7H9NO3 — CID 89393650

IUPAC(1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESN[C@@H]1C(O)=CC=C[C@H]1C(=O)O
InChIInChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-4,6,9H,8H2,(H,10,11)/t4-,6+/m1/s1
InChIKeyXBZSAEYMLVBNSJ-XINAWCOVSA-N
MW155.15 g/mol
LogP0.03
Rot. Bonds1

About (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid

(1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 89393650) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid
PubChem CID89393650
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESN[C@@H]1C(O)=CC=C[C@H]1C(=O)O
InChIInChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-4,6,9H,8H2,(H,10,11)/t4-,6+/m1/s1
InChIKeyXBZSAEYMLVBNSJ-XINAWCOVSA-N
XLogP0.03
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CID 89393650) is (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid is N[C@@H]1C(O)=CC=C[C@H]1C(=O)O.
What is the InChIKey of (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is XBZSAEYMLVBNSJ-XINAWCOVSA-N. The full InChI is InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-4,6,9H,8H2,(H,10,11)/t4-,6+/m1/s1.
What are the key properties of (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
(1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-amino-5-hydroxycyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 89393650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).