(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate

C26H22NO4- — CID 7157187

IUPAC(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESO=C(N[C@@]1(C(=O)[O-])CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO4/c28-24(29)26(14-13-17-7-1-2-8-18(17)15-26)27-25(30)31-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23H,13-16H2,(H,27,30)(H,28,29)/p-1/t26-/m0/s1
InChIKeyPRKGWEACQDXDDT-SANMLTNESA-M
MW412.47 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 7157187) has the molecular formula C26H22NO4- and a molecular weight of 412.47 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID7157187
Molecular FormulaC26H22NO4-
Molecular Weight412.47 g/mol
Exact Mass412.16
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESO=C(N[C@@]1(C(=O)[O-])CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO4/c28-24(29)26(14-13-17-7-1-2-8-18(17)15-26)27-25(30)31-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23H,13-16H2,(H,27,30)(H,28,29)/p-1/t26-/m0/s1
InChIKeyPRKGWEACQDXDDT-SANMLTNESA-M
XLogP3.20
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 165341101
(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydroindene-1-carboxylic acid
CID 1268153
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxycyclopentane-1-carboxylic acid
CID 22662155
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluorocyclopentane-1-carboxylic acid
CID 171397176
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate
CID 171951096
methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate
CID 11718644
trans-(1R,2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 23397419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 7157187) is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate is O=C(N[C@@]1(C(=O)[O-])CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is PRKGWEACQDXDDT-SANMLTNESA-M. The full InChI is InChI=1S/C26H23NO4/c28-24(29)26(14-13-17-7-1-2-8-18(17)15-26)27-25(30)31-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23H,13-16H2,(H,27,30)(H,28,29)/p-1/t26-/m0/s1.
What are the key properties of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 412.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 7157187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).