(3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid

C25H21F2NO4 — CID 24820617

IUPAC(3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
SMILESN[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C25H21F2NO4/c26-20-10-9-14(11-21(20)27)24(22(28)12-23(29)30)25(31)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22,24H,12-13,28H2,(H,29,30)/t22-,24?/m1/s1
InChIKeyZMWSPVZVUGBHFO-LETIRJCYSA-N
MW437.44 g/mol
LogP4.21
Rot. Bonds7

About (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid

(3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid (PubChem CID 24820617) has the molecular formula C25H21F2NO4 and a molecular weight of 437.44 g/mol. Its IUPAC name is (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
PubChem CID24820617
Molecular FormulaC25H21F2NO4
Molecular Weight437.44 g/mol
Exact Mass437.14
IUPAC Name(3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
SMILESN[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C25H21F2NO4/c26-20-10-9-14(11-21(20)27)24(22(28)12-23(29)30)25(31)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22,24H,12-13,28H2,(H,29,30)/t22-,24?/m1/s1
InChIKeyZMWSPVZVUGBHFO-LETIRJCYSA-N
XLogP4.21
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.21
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
3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid
CID 74324932
(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
9H-fluoren-9-ylmethyl 3-amino-5-chloro-2-(4-fluorophenyl)-5-oxopentanoate
CID 174782761
(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid
CID 24820684
(3S)-3-(4-chloro-3-fluorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103667934
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(3,4-difluorophenyl)propyl]carbamate
CID 10580308
1-O-(9H-fluoren-9-ylmethyl) 5-O-methyl 3-amino-2-[4-(benzenesulfonyloxy)phenyl]pentanedioate
CID 87298347
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid?
The IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid (CID 24820617) is (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid.
What is the SMILES notation for (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid?
The canonical SMILES for (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid is N[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid?
The InChIKey is ZMWSPVZVUGBHFO-LETIRJCYSA-N. The full InChI is InChI=1S/C25H21F2NO4/c26-20-10-9-14(11-21(20)27)24(22(28)12-23(29)30)25(31)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22,24H,12-13,28H2,(H,29,30)/t22-,24?/m1/s1.
What are the key properties of (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid?
(3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid has a molecular weight of 437.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid is sourced from PubChem (CID 24820617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).