2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid

C19H17NO6 — CID 601361

IUPAC2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO6/c21-17(22)9-20(10-18(23)24)19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,21,22)(H,23,24)
InChIKeyLNHILYINDTUUMZ-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.41
Rot. Bonds6

About 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid

2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (PubChem CID 601361) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
PubChem CID601361
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO6/c21-17(22)9-20(10-18(23)24)19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,21,22)(H,23,24)
InChIKeyLNHILYINDTUUMZ-UHFFFAOYSA-N
XLogP2.41
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (CID 601361) is 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The InChIKey is LNHILYINDTUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c21-17(22)9-20(10-18(23)24)19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,21,22)(H,23,24).
What are the key properties of 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid has a molecular weight of 355.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 601361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).