2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid

C23H19NO4 — CID 17040110

IUPAC2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C23H19NO4/c25-22(26)13-15-6-5-7-16(12-15)24-23(27)28-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKeyDFSRRXZHWJUCFU-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.67
Rot. Bonds5

About 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid

2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid (PubChem CID 17040110) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
PubChem CID17040110
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C23H19NO4/c25-22(26)13-15-6-5-7-16(12-15)24-23(27)28-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKeyDFSRRXZHWJUCFU-UHFFFAOYSA-N
XLogP4.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoic acid
CID 978386
N-(9H-fluoren-9-ylethoxycarbonyl)-4-aminobenzoic acid
CID 9885863
4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoic acid
CID 2756082
3-(9-Fluorenylmethyloxycarbonyl)amino-benzoic acid
CID 1501851
3-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]propanoic acid
CID 2755932
2-(4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)phenyl)acetic acid
CID 2756084
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-methylbenzoic acid
CID 22569037
3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylbenzoic acid
CID 22569039
(9H-Fluoren-9-yl)methyl (4-(hydroxymethyl)phenyl)carbamate
CID 64795261
4-(9H-fluoren-9-yloxycarbonylamino)benzoic acid
CID 10066137
2-[2-[3-(Phenylmethoxycarbonylamino)phenyl]phenyl]acetic acid
CID 127039698
4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-fluorobenzoic acid
CID 63310612

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid (CID 17040110) is 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid?
The InChIKey is DFSRRXZHWJUCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(26)13-15-6-5-7-16(12-15)24-23(27)28-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid?
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid is sourced from PubChem (CID 17040110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).