4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate

C18H17NO4 — CID 91582419

IUPAC4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate
SMILESCOC(=O)C(N)CC(=O)Oc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H17NO4/c1-22-18(21)15(19)10-17(20)23-16-8-4-7-13-12-6-3-2-5-11(12)9-14(13)16/h2-8,15H,9-10,19H2,1H3
InChIKeyFUMYGUJZHWXLMY-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.05
Rot. Bonds4

About 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate

4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate (PubChem CID 91582419) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate.

Molecular Properties

Compound Name4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate
PubChem CID91582419
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate
SMILESCOC(=O)C(N)CC(=O)Oc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H17NO4/c1-22-18(21)15(19)10-17(20)23-16-8-4-7-13-12-6-3-2-5-11(12)9-14(13)16/h2-8,15H,9-10,19H2,1H3
InChIKeyFUMYGUJZHWXLMY-UHFFFAOYSA-N
XLogP2.05
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101363551
9H-fluoren-1-yl carbonochloridate
CID 57317054
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
9H-fluoren-1-yl 4-hydroxybenzoate
CID 153455636
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
9H-fluoren-1-yl 2,3,3-tris(9H-fluoren-1-yl)prop-2-enoate
CID 150920620
9H-fluoren-1-yloxy-hydroxy-oxophosphanium
CID 172827585
9H-fluoren-1-yl 2-cyano-2-fluoren-9-ylideneacetate
CID 90720769
9H-fluorene;methyl acetate
CID 143080534
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
2-(9H-fluoren-1-yloxy)acetaldehyde
CID 87173259

Frequently Asked Questions

What is the IUPAC name of 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate?
The IUPAC name of 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate (CID 91582419) is 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate.
What is the SMILES notation for 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate?
The canonical SMILES for 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate is COC(=O)C(N)CC(=O)Oc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate?
The InChIKey is FUMYGUJZHWXLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-18(21)15(19)10-17(20)23-16-8-4-7-13-12-6-3-2-5-11(12)9-14(13)16/h2-8,15H,9-10,19H2,1H3.
What are the key properties of 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate?
4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate has a molecular weight of 311.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate is sourced from PubChem (CID 91582419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).