(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid

C20H22N2O4 — CID 141108437

IUPAC(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid
SMILESCOC(=O)N(N[C@H](C(=O)O)C(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22N2O4/c1-12(2)17(19(23)24)21-22(20(25)26-3)18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-12,17-18,21H,1-3H3,(H,23,24)/t17-/m0/s1
InChIKeyNVGLJOPXFOMFOH-KRWDZBQOSA-N
MW354.41 g/mol
LogP3.44
Rot. Bonds5

About (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid

(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid (PubChem CID 141108437) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid
PubChem CID141108437
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid
SMILESCOC(=O)N(N[C@H](C(=O)O)C(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22N2O4/c1-12(2)17(19(23)24)21-22(20(25)26-3)18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-12,17-18,21H,1-3H3,(H,23,24)/t17-/m0/s1
InChIKeyNVGLJOPXFOMFOH-KRWDZBQOSA-N
XLogP3.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid (CID 141108437) is (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid is COC(=O)N(N[C@H](C(=O)O)C(C)C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid?
The InChIKey is NVGLJOPXFOMFOH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12(2)17(19(23)24)21-22(20(25)26-3)18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-12,17-18,21H,1-3H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid?
(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid is sourced from PubChem (CID 141108437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).