CID 101486184

C19H18NO4Se — CID 101486184

IUPAC—
SMILESC[C@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[Se]
InChIInChI=1S/C19H18NO4Se/c1-11(21)17(18(22)25)20-19(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,23)/t11-,17+/m0/s1
InChIKeyAYFFUBODRVSFDV-APPDUMDISA-N
MW403.32 g/mol
LogP1.97
Rot. Bonds5

About CID 101486184

CID 101486184 (PubChem CID 101486184) has the molecular formula C19H18NO4Se and a molecular weight of 403.32 g/mol.

Molecular Properties

Compound NameCID 101486184
PubChem CID101486184
Molecular FormulaC19H18NO4Se
Molecular Weight403.32 g/mol
Exact Mass404.04
IUPAC Name—
SMILESC[C@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[Se]
InChIInChI=1S/C19H18NO4Se/c1-11(21)17(18(22)25)20-19(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,23)/t11-,17+/m0/s1
InChIKeyAYFFUBODRVSFDV-APPDUMDISA-N
XLogP1.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
tert-butyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 11773868
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
tert-butyl (2R,3R)-2-[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoate
CID 135034150
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxybutanoate
CID 135024259
9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
CID 172641441
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992511

Frequently Asked Questions

What is the IUPAC name of CID 101486184?
The IUPAC name of CID 101486184 (CID 101486184) is not available.
What is the SMILES notation for CID 101486184?
The canonical SMILES for CID 101486184 is C[C@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[Se].
What is the InChIKey of CID 101486184?
The InChIKey is AYFFUBODRVSFDV-APPDUMDISA-N. The full InChI is InChI=1S/C19H18NO4Se/c1-11(21)17(18(22)25)20-19(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,23)/t11-,17+/m0/s1.
What are the key properties of CID 101486184?
CID 101486184 has a molecular weight of 403.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101486184 is sourced from PubChem (CID 101486184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).