2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid

C20H21NO4 — CID 138112851

IUPAC2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
SMILESCC(C)C([15NH]C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/i21+1
InChIKeyUGNIYGNGCNXHTR-ODHDQMIASA-N
MW340.38 g/mol
LogP3.63
Rot. Bonds5

About 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid

2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid (PubChem CID 138112851) has the molecular formula C20H21NO4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
PubChem CID138112851
Molecular FormulaC20H21NO4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
SMILESCC(C)C([15NH]C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/i21+1
InChIKeyUGNIYGNGCNXHTR-ODHDQMIASA-N
XLogP3.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-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

Related Compounds

2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]oxypropanoic acid
CID 23387354
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
(2R)-2-[[3-ethoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropanoyl]amino]-3-methylbutanoic acid
CID 165494965
9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate
CID 14440771
(2S,3S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-oxopentanoic acid
CID 102324396
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxysulfanyloxybutanoic acid
CID 175695247

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid (CID 138112851) is 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid is CC(C)C([15NH]C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid?
The InChIKey is UGNIYGNGCNXHTR-ODHDQMIASA-N. The full InChI is InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/i21+1.
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid is sourced from PubChem (CID 138112851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).