(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid

C24H20FNO4 — CID 7129815

IUPAC(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKeyARHOAMSIDCQWEW-JOCHJYFZSA-N
MW405.43 g/mol
LogP4.36
Rot. Bonds6

About (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid (PubChem CID 7129815) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid
PubChem CID7129815
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKeyARHOAMSIDCQWEW-JOCHJYFZSA-N
XLogP4.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid (CID 7129815) is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid is O=C(N[C@H](Cc1ccccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is ARHOAMSIDCQWEW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid?
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid has a molecular weight of 405.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 7129815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).