3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C30H24N2O4 — CID 59814410

IUPAC3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC(Cc1ccc2[nH]c3ccccc3c2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H24N2O4/c33-29(34)28(16-18-13-14-27-24(15-18)23-11-5-6-12-26(23)31-27)32-30(35)36-17-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-15,25,28,31H,16-17H2,(H,32,35)(H,33,34)
InChIKeyZTHKMFMTCBDJCW-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.86
Rot. Bonds6

About 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 59814410) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID59814410
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC(Cc1ccc2[nH]c3ccccc3c2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H24N2O4/c33-29(34)28(16-18-13-14-27-24(15-18)23-11-5-6-12-26(23)31-27)32-30(35)36-17-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-15,25,28,31H,16-17H2,(H,32,35)(H,33,34)
InChIKeyZTHKMFMTCBDJCW-UHFFFAOYSA-N
XLogP5.86
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(9H-carbazol-3-yl)-2-(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

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid
CID 103694695
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-phenylphenyl)propanoic acid
CID 53386994
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indazol-6-yl)propanoic acid
CID 177277351
CID 175564084
CID 175564084
3-(4-chloro-3-fluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 90457414
(2S)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 2734448
3-(2,5-dimethyl-1H-indol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170883131
3-(6-bromonaphthalen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 155896697
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 155905592
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxy-4-methylphenyl)propanoic acid
CID 172894185
3-anthracen-9-yl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 4225821
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 68763814

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 59814410) is 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is O=C(NC(Cc1ccc2[nH]c3ccccc3c2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is ZTHKMFMTCBDJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c33-29(34)28(16-18-13-14-27-24(15-18)23-11-5-6-12-26(23)31-27)32-30(35)36-17-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-15,25,28,31H,16-17H2,(H,32,35)(H,33,34).
What are the key properties of 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 476.53 g/mol, XLogP of 5.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 59814410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).