4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid

C19H18N2O7 — CID 67089528

IUPAC4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(NNC(=O)C(O)C(O)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H18N2O7/c22-15(16(23)18(25)26)17(24)20-21-19(27)28-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-16,22-23H,9H2,(H,20,24)(H,21,27)(H,25,26)
InChIKeyBFDPHDCZSCITHD-UHFFFAOYSA-N
MW386.36 g/mol
LogP0.36
Rot. Bonds5

About 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid

4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 67089528) has the molecular formula C19H18N2O7 and a molecular weight of 386.36 g/mol. Its IUPAC name is 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID67089528
Molecular FormulaC19H18N2O7
Molecular Weight386.36 g/mol
Exact Mass386.11
IUPAC Name4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(NNC(=O)C(O)C(O)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H18N2O7/c22-15(16(23)18(25)26)17(24)20-21-19(27)28-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-16,22-23H,9H2,(H,20,24)(H,21,27)(H,25,26)
InChIKeyBFDPHDCZSCITHD-UHFFFAOYSA-N
XLogP0.36
TPSA145.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
CID 70650161
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 53398437
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid (CID 67089528) is 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid is O=C(NNC(=O)C(O)C(O)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is BFDPHDCZSCITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O7/c22-15(16(23)18(25)26)17(24)20-21-19(27)28-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-16,22-23H,9H2,(H,20,24)(H,21,27)(H,25,26).
What are the key properties of 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid?
4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 386.36 g/mol, XLogP of 0.36, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 67089528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).