(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'}

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Related Compounds

(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid
CID 70076002
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 99909243
(2S)-2-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 54296173
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747
3-[9H-fluoren-9-yl(methoxycarbonyl)amino]-4-phenylbutanoic acid
CID 53394977
3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 67304548
3-methyl-2-[(3-oxo-1H-2-benzofuran-1-yl)amino]butanoic acid
CID 82533801
(2R)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-(4-nitrophenyl)acetic acid
CID 99909238
4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid
CID 46907971
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488

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).