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

C19H19NO5 — CID 54198997

IUPAC(2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(N[C@@]1(C(=O)O)CCc2cccc(O)c2C1)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-16-8-4-7-14-9-10-19(17(22)23,11-15(14)16)20-18(24)25-12-13-5-2-1-3-6-13/h1-8,21H,9-12H2,(H,20,24)(H,22,23)/t19-/m0/s1
InChIKeyPNWUONONVHADBS-IBGZPJMESA-N
MW341.36 g/mol
LogP2.63
Rot. Bonds4

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

(2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 54198997) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID54198997
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(N[C@@]1(C(=O)O)CCc2cccc(O)c2C1)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-16-8-4-7-14-9-10-19(17(22)23,11-15(14)16)20-18(24)25-12-13-5-2-1-3-6-13/h1-8,21H,9-12H2,(H,20,24)(H,22,23)/t19-/m0/s1
InChIKeyPNWUONONVHADBS-IBGZPJMESA-N
XLogP2.63
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 15200028
(2S)-8-hydroxy-2-phenylmethoxycarbonyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54432010
8-hydroxy-2-phenylmethoxycarbonyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 18939254
3-benzyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 167738824
3-(phenylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167724163
benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 67850234
1-(phenylmethoxycarbonylamino)-4-propylcyclohexane-1-carboxylic acid
CID 103663689
1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid
CID 169041659
(2R)-4,7-bis(4-bromophenyl)-2-(phenylmethoxycarbonylamino)-1,3-dihydroindene-2,5-dicarboxylic acid
CID 132529644
benzyl N-(4-carbamoyl-1-bicyclo[2.2.2]octanyl)carbamate
CID 23150697
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
5-methyl-3-(phenylmethoxycarbonylamino)thiolane-3-carboxylic acid
CID 79950971

Frequently Asked Questions

What is the IUPAC name of (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 54198997) is (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is O=C(N[C@@]1(C(=O)O)CCc2cccc(O)c2C1)OCc1ccccc1.
What is the InChIKey of (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is PNWUONONVHADBS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO5/c21-16-8-4-7-14-9-10-19(17(22)23,11-15(14)16)20-18(24)25-12-13-5-2-1-3-6-13/h1-8,21H,9-12H2,(H,20,24)(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
(2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 54198997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).