(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid

C24H20ClNO4 — CID 44593833

IUPAC(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
SMILESN[C@@](CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)24(26,13-22(27)28)23(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14,26H2,(H,27,28)/t24-/m1/s1
InChIKeyXEZCMHSKNJGGDG-XMMPIXPASA-N
MW421.88 g/mol
LogP4.32
Rot. Bonds6

About (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid

(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid (PubChem CID 44593833) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
PubChem CID44593833
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
SMILESN[C@@](CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)24(26,13-22(27)28)23(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14,26H2,(H,27,28)/t24-/m1/s1
InChIKeyXEZCMHSKNJGGDG-XMMPIXPASA-N
XLogP4.32
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
CID 53394998
(3R)-3-amino-3-(3-bromophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 163199078
(2S)-2-(4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxy)-2-(methylaminomethyl)-3-oxopropanoic acid
CID 170899705
(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid
CID 178186306
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate
CID 123230647
2-amino-4-ethylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonyl)butanoic acid
CID 56923935
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
(2R,3R)-2-[2-(4-chlorophenyl)ethyl]-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 146517437

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid?
The IUPAC name of (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid (CID 44593833) is (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid?
The canonical SMILES for (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid is N[C@@](CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid?
The InChIKey is XEZCMHSKNJGGDG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)24(26,13-22(27)28)23(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14,26H2,(H,27,28)/t24-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid?
(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid has a molecular weight of 421.88 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid is sourced from PubChem (CID 44593833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).