2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid

C21H23NO4 — CID 4308

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCBPJQFCAFFNICX-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.02
Rot. Bonds6

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid (PubChem CID 4308) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
PubChem CID4308
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCBPJQFCAFFNICX-UHFFFAOYSA-N
XLogP4.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid (CID 4308) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid is CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The InChIKey is CBPJQFCAFFNICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid has a molecular weight of 353.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 4308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).