2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid

C19H20N2O4 — CID 69036626

IUPAC2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
SMILESCC(C(=O)OCC1c2ccccc2-c2ccccc21)C(N)(N)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-11(19(20,21)18(23)24)17(22)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10,20-21H2,1H3,(H,23,24)
InChIKeyQSZRSYZMAWVPOV-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.68
Rot. Bonds5

About 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid

2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid (PubChem CID 69036626) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
PubChem CID69036626
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
SMILESCC(C(=O)OCC1c2ccccc2-c2ccccc21)C(N)(N)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-11(19(20,21)18(23)24)17(22)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10,20-21H2,1H3,(H,23,24)
InChIKeyQSZRSYZMAWVPOV-UHFFFAOYSA-N
XLogP1.68
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
(2S,3S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxybutanoic acid
CID 56923842
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
CID 175476365
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-3-methylpentanoic acid
CID 149470928
(2R,3R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid
CID 97114151
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 104980247
(2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid
CID 166520056
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-4-methylpentanoic acid
CID 96581934
9H-fluoren-9-ylmethyl 4,4-dimethyl-3-oxopentanoate
CID 59055681

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid?
The IUPAC name of 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid (CID 69036626) is 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid?
The canonical SMILES for 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid is CC(C(=O)OCC1c2ccccc2-c2ccccc21)C(N)(N)C(=O)O.
What is the InChIKey of 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid?
The InChIKey is QSZRSYZMAWVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11(19(20,21)18(23)24)17(22)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10,20-21H2,1H3,(H,23,24).
What are the key properties of 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid?
2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid has a molecular weight of 340.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid is sourced from PubChem (CID 69036626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).