3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid

C24H19NO5 — CID 174634562

IUPAC3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
SMILESO=C(NCC(=O)c1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO5/c26-22(15-6-5-7-16(12-15)23(27)28)13-25-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,25,29)(H,27,28)
InChIKeyASQHUPNRPWUFON-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.11
Rot. Bonds6

About 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid

3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid (PubChem CID 174634562) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
PubChem CID174634562
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
SMILESO=C(NCC(=O)c1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO5/c26-22(15-6-5-7-16(12-15)23(27)28)13-25-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,25,29)(H,27,28)
InChIKeyASQHUPNRPWUFON-UHFFFAOYSA-N
XLogP4.11
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopropyl]amino]benzoic acid
CID 66966516
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]naphthalene-2-carboxylic acid
CID 138005991
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
2-amino-3-chloro-4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
CID 67019869
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]thiophene-3-carboxylic acid
CID 170833760
4-chloro-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169469792
4-amino-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]benzoic acid
CID 170492684
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-iminopropanoic acid
CID 163894219
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybenzoic acid
CID 22569049

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid?
The IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid (CID 174634562) is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid.
What is the SMILES notation for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid?
The canonical SMILES for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid is O=C(NCC(=O)c1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid?
The InChIKey is ASQHUPNRPWUFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c26-22(15-6-5-7-16(12-15)23(27)28)13-25-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,25,29)(H,27,28).
What are the key properties of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid?
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid has a molecular weight of 401.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid is sourced from PubChem (CID 174634562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).