2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid

C18H15NO4 — CID 164579750

IUPAC2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid
SMILESNC(=CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C18H15NO4/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/h1-9,15H,10,19H2,(H,21,22)
InChIKeyIWZDOABNGMMMEE-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.27
Rot. Bonds4

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

2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid (PubChem CID 164579750) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid
PubChem CID164579750
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid
SMILESNC(=CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C18H15NO4/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/h1-9,15H,10,19H2,(H,21,22)
InChIKeyIWZDOABNGMMMEE-UHFFFAOYSA-N
XLogP2.27
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
CID 91551203
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid?
The IUPAC name of 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid (CID 164579750) is 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid is NC(=CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid?
The InChIKey is IWZDOABNGMMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/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/h1-9,15H,10,19H2,(H,21,22).
What are the key properties of 2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid?
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid has a molecular weight of 309.32 g/mol, XLogP of 2.27, 4 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-oxobut-2-enoic acid is sourced from PubChem (CID 164579750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).