2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid

C22H18N2O4 — CID 24729665

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccnc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18N2O4/c25-21(26)20(14-6-5-11-23-12-14)24-22(27)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19-20H,13H2,(H,24,27)(H,25,26)
InChIKeyMVIRKKKVCROOQJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.75
Rot. Bonds5

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid (PubChem CID 24729665) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid
PubChem CID24729665
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccnc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18N2O4/c25-21(26)20(14-6-5-11-23-12-14)24-22(27)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19-20H,13H2,(H,24,27)(H,25,26)
InChIKeyMVIRKKKVCROOQJ-UHFFFAOYSA-N
XLogP3.75
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid (CID 24729665) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid is O=C(NC(C(=O)O)c1cccnc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid?
The InChIKey is MVIRKKKVCROOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-21(26)20(14-6-5-11-23-12-14)24-22(27)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19-20H,13H2,(H,24,27)(H,25,26).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid has a molecular weight of 374.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 24729665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).