(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid

C24H21NO4 — CID 2734302

IUPAC(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyPTSLRPMRTOVHAB-JOCHJYFZSA-N
MW387.44 g/mol
LogP4.74
Rot. Bonds6

About (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid

(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid (PubChem CID 2734302) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
PubChem CID2734302
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyPTSLRPMRTOVHAB-JOCHJYFZSA-N
XLogP4.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid (CID 2734302) is (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid is O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid?
The InChIKey is PTSLRPMRTOVHAB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1.
What are the key properties of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid?
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid has a molecular weight of 387.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 2734302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).