9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate

C19H21NO2 — CID 4038449

IUPAC9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO2/c1-12(2)18(20)19(21)22-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11,20H2,1-2H3
InChIKeyDRDZLWHKMAXEAT-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.33
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate

9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate (PubChem CID 4038449) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
PubChem CID4038449
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO2/c1-12(2)18(20)19(21)22-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11,20H2,1-2H3
InChIKeyDRDZLWHKMAXEAT-UHFFFAOYSA-N
XLogP3.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
(2R,3R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid
CID 97114151
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 69036626
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
4-[1-amino-2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 67384206
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate (CID 4038449) is 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate?
The InChIKey is DRDZLWHKMAXEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-12(2)18(20)19(21)22-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11,20H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate?
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate has a molecular weight of 295.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate is sourced from PubChem (CID 4038449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).