3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid

C29H25NO4 — CID 74324932

IUPAC3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid
SMILESNC(CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C29H25NO4/c30-26(16-27(31)32)28(20-14-13-18-7-1-2-8-19(18)15-20)29(33)34-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h1-15,25-26,28H,16-17,30H2,(H,31,32)
InChIKeyIUFMAMASIBVSGZ-UHFFFAOYSA-N
MW451.52 g/mol
LogP5.08
Rot. Bonds7

About 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid

3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid (PubChem CID 74324932) has the molecular formula C29H25NO4 and a molecular weight of 451.52 g/mol. Its IUPAC name is 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid.

Molecular Properties

Compound Name3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid
PubChem CID74324932
Molecular FormulaC29H25NO4
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC Name3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid
SMILESNC(CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C29H25NO4/c30-26(16-27(31)32)28(20-14-13-18-7-1-2-8-19(18)15-20)29(33)34-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h1-15,25-26,28H,16-17,30H2,(H,31,32)
InChIKeyIUFMAMASIBVSGZ-UHFFFAOYSA-N
XLogP5.08
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-(3,4-dichlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 24820615
(3S,4R)-3-amino-4-(3,4-dichlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 29416776
(3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 24820617
(3S)-3-amino-4-(3-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 24820695
(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 24820634
(2S)-2-[amino(naphthalen-2-yl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57367757
(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid
CID 24820684
9H-fluoren-9-ylmethyl 3-amino-5-chloro-2-(4-fluorophenyl)-5-oxopentanoate
CID 174782761
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 42550507
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 53398472
(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid
CID 94011410
1-O-(9H-fluoren-9-ylmethyl) 5-O-methyl 3-amino-2-[4-(benzenesulfonyloxy)phenyl]pentanedioate
CID 87298347

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid?
The IUPAC name of 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid (CID 74324932) is 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid.
What is the SMILES notation for 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid?
The canonical SMILES for 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid is NC(CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccccc2c1.
What is the InChIKey of 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid?
The InChIKey is IUFMAMASIBVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4/c30-26(16-27(31)32)28(20-14-13-18-7-1-2-8-19(18)15-20)29(33)34-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h1-15,25-26,28H,16-17,30H2,(H,31,32).
What are the key properties of 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid?
3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid has a molecular weight of 451.52 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid is sourced from PubChem (CID 74324932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).