2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C33H28N2O6 — CID 5193992

IUPAC2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(NCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H28N2O6/c36-31(37)30(35-33(39)41-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29)17-34-32(38)40-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28/h1-16,28-30H,17-19H2,(H,34,38)(H,35,39)(H,36,37)
InChIKeyCEEGOSWFFHSPHM-UHFFFAOYSA-N
MW548.60 g/mol
LogP5.52
Rot. Bonds8

About 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 5193992) has the molecular formula C33H28N2O6 and a molecular weight of 548.60 g/mol. Its IUPAC name is 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID5193992
Molecular FormulaC33H28N2O6
Molecular Weight548.60 g/mol
Exact Mass548.19
IUPAC Name2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(NCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H28N2O6/c36-31(37)30(35-33(39)41-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29)17-34-32(38)40-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28/h1-16,28-30H,17-19H2,(H,34,38)(H,35,39)(H,36,37)
InChIKeyCEEGOSWFFHSPHM-UHFFFAOYSA-N
XLogP5.52
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.60
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic 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

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydrazinylpropanoic acid
CID 175987234
(2S)-3-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;O-methylhydroxylamine
CID 91412337
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(1S)-1-hydroxyethyl]amino]propanoic acid
CID 123134010
(2S,7S)-2,7-bis(9H-fluoren-9-ylmethoxycarbonylamino)oct-4-enedioic acid
CID 57135941
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
CID 4052587
(2S)-3-acetyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7018824
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trimethylsilylpropanoic acid
CID 165351061
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylselanylpropanoic acid
CID 122173660

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 5193992) is 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is O=C(NCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is CEEGOSWFFHSPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O6/c36-31(37)30(35-33(39)41-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29)17-34-32(38)40-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28/h1-16,28-30H,17-19H2,(H,34,38)(H,35,39)(H,36,37).
What are the key properties of 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 548.60 g/mol, XLogP of 5.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 5193992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).