(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C18H17NO4 — CID 15200028

IUPAC(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(N[C@@]1(C(=O)O)CCc2cccc(O)c2C1)c1ccccc1
InChIInChI=1S/C18H17NO4/c20-15-8-4-7-12-9-10-18(17(22)23,11-14(12)15)19-16(21)13-5-2-1-3-6-13/h1-8,20H,9-11H2,(H,19,21)(H,22,23)/t18-/m0/s1
InChIKeyYEPCIDCKFCYEOA-SFHVURJKSA-N
MW311.34 g/mol
LogP2.13
Rot. Bonds3

About (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 15200028) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID15200028
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(N[C@@]1(C(=O)O)CCc2cccc(O)c2C1)c1ccccc1
InChIInChI=1S/C18H17NO4/c20-15-8-4-7-12-9-10-18(17(22)23,11-14(12)15)19-16(21)13-5-2-1-3-6-13/h1-8,20H,9-11H2,(H,19,21)(H,22,23)/t18-/m0/s1
InChIKeyYEPCIDCKFCYEOA-SFHVURJKSA-N
XLogP2.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 15200028) is (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is O=C(N[C@@]1(C(=O)O)CCc2cccc(O)c2C1)c1ccccc1.
What is the InChIKey of (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is YEPCIDCKFCYEOA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NO4/c20-15-8-4-7-12-9-10-18(17(22)23,11-14(12)15)19-16(21)13-5-2-1-3-6-13/h1-8,20H,9-11H2,(H,19,21)(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 15200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).