(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid

C23H21NO4S — CID 24820684

IUPAC(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid
SMILESN[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1
InChIInChI=1S/C23H21NO4S/c24-19(12-21(25)26)22(20-10-5-11-29-20)23(27)28-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18-19,22H,12-13,24H2,(H,25,26)/t19-,22?/m1/s1
InChIKeyIYJJGABCAVYYGZ-LCQOSCCDSA-N
MW407.49 g/mol
LogP3.99
Rot. Bonds7

About (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid

(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid (PubChem CID 24820684) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid
PubChem CID24820684
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC Name(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid
SMILESN[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1
InChIInChI=1S/C23H21NO4S/c24-19(12-21(25)26)22(20-10-5-11-29-20)23(27)28-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18-19,22H,12-13,24H2,(H,25,26)/t19-,22?/m1/s1
InChIKeyIYJJGABCAVYYGZ-LCQOSCCDSA-N
XLogP3.99
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 24820634
(3R)-3-amino-4-(3,4-dichlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 24820615
3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid
CID 74324932
(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
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
(2S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-2-ylacetyl]amino]-2-hydroxypropanoic acid
CID 165468962
9H-fluoren-9-ylmethyl 3-amino-5-chloro-2-(4-fluorophenyl)-5-oxopentanoate
CID 174782761
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid
CID 175993953
(2R,3R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid
CID 97114151

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid?
The IUPAC name of (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid (CID 24820684) is (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid.
What is the SMILES notation for (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid?
The canonical SMILES for (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid is N[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1.
What is the InChIKey of (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid?
The InChIKey is IYJJGABCAVYYGZ-LCQOSCCDSA-N. The full InChI is InChI=1S/C23H21NO4S/c24-19(12-21(25)26)22(20-10-5-11-29-20)23(27)28-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18-19,22H,12-13,24H2,(H,25,26)/t19-,22?/m1/s1.
What are the key properties of (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid?
(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid has a molecular weight of 407.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 24820684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).