3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C18H17NO4 — CID 2724630

IUPAC3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)
InChIKeyLINBWYYLPWJQHE-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.00
Rot. Bonds5

About 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 2724630) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID2724630
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)
InChIKeyLINBWYYLPWJQHE-UHFFFAOYSA-N
XLogP3.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 2724630) is 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is O=C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is LINBWYYLPWJQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21).
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 311.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 2724630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).