2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid

C24H20ClNO4 — CID 103664385

IUPAC2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClNO4/c1-26(22(23(27)28)15-10-12-16(25)13-11-15)24(29)30-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-22H,14H2,1H3,(H,27,28)
InChIKeyUJIWVGVXNAVXFP-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.35
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid

2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid (PubChem CID 103664385) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
PubChem CID103664385
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClNO4/c1-26(22(23(27)28)15-10-12-16(25)13-11-15)24(29)30-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-22H,14H2,1H3,(H,27,28)
InChIKeyUJIWVGVXNAVXFP-UHFFFAOYSA-N
XLogP5.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103665683
2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664243
(2S)-3-(4-chlorophenoxy)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 146562456
4-(4-chlorophenyl)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid
CID 146596692
(2S)-2-[(4-chlorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 165470059
2-(5-chloro-1,3-thiazol-2-yl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 107124404
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
3-(5-chloro-3-pyridinyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 155695585
(2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
CID 102331202
(3S,4R)-3-[[(2R)-3-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propyl]-methylcarbamoyl]-4-phenylpentanoic acid
CID 146583880

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid (CID 103664385) is 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid is CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The InChIKey is UJIWVGVXNAVXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-26(22(23(27)28)15-10-12-16(25)13-11-15)24(29)30-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-22H,14H2,1H3,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid has a molecular weight of 421.88 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid is sourced from PubChem (CID 103664385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).