2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid

C18H17NO4 — CID 14559129

IUPAC2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
SMILESNC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C18H17NO4/c19-16(18(21)22)9-17(20)23-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2,(H,21,22)
InChIKeyFDNQJSUPJXCUFZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid

2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid (PubChem CID 14559129) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
PubChem CID14559129
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
SMILESNC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C18H17NO4/c19-16(18(21)22)9-17(20)23-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2,(H,21,22)
InChIKeyFDNQJSUPJXCUFZ-UHFFFAOYSA-N
XLogP2.14
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 147470453
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-(sulfanylmethyl)butanoic acid
CID 157199768
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-3-methylpentanoic acid
CID 149470928
2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-methylpentanoic acid
CID 58273355
2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pent-4-ynoic acid
CID 157181376
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid
CID 95171223

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid (CID 14559129) is 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid is NC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid?
The InChIKey is FDNQJSUPJXCUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c19-16(18(21)22)9-17(20)23-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2,(H,21,22).
What are the key properties of 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid?
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid has a molecular weight of 311.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid is sourced from PubChem (CID 14559129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).