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

C26H22ClNO4 — CID 103665683

IUPAC2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C26H22ClNO4/c27-17-11-9-16(10-12-17)24(25(29)30)28(18-13-14-18)26(31)32-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23-24H,13-15H2,(H,29,30)
InChIKeyCOCDCYUSUFNJJA-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.88
Rot. Bonds6

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

2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (PubChem CID 103665683) has the molecular formula C26H22ClNO4 and a molecular weight of 447.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
PubChem CID103665683
Molecular FormulaC26H22ClNO4
Molecular Weight447.92 g/mol
Exact Mass447.12
IUPAC Name2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C26H22ClNO4/c27-17-11-9-16(10-12-17)24(25(29)30)28(18-13-14-18)26(31)32-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23-24H,13-15H2,(H,29,30)
InChIKeyCOCDCYUSUFNJJA-UHFFFAOYSA-N
XLogP5.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664385
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(2,6-dimethylphenyl)acetic acid
CID 103857654
2-(3-bromothiophen-2-yl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103829212
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770752
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
(2S)-2-[(4-chlorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 165470059
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid
CID 103696873
2-(4-chloro-2-fluorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]acetic acid
CID 104980059
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (CID 103665683) is 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is O=C(O)C(c1ccc(Cl)cc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The InChIKey is COCDCYUSUFNJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO4/c27-17-11-9-16(10-12-17)24(25(29)30)28(18-13-14-18)26(31)32-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23-24H,13-15H2,(H,29,30).
What are the key properties of 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid has a molecular weight of 447.92 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 103665683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).