2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid

C24H28N2O5 — CID 172529253

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid
SMILESO=C(O)CN(CCCN1CCOCC1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28N2O5/c27-23(28)16-26(11-5-10-25-12-14-30-15-13-25)24(29)31-17-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,22H,5,10-17H2,(H,27,28)
InChIKeyZCOOBNFEESLFQJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.04
Rot. Bonds8

About 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid

2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid (PubChem CID 172529253) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid
PubChem CID172529253
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid
SMILESO=C(O)CN(CCCN1CCOCC1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28N2O5/c27-23(28)16-26(11-5-10-25-12-14-30-15-13-25)24(29)31-17-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,22H,5,10-17H2,(H,27,28)
InChIKeyZCOOBNFEESLFQJ-UHFFFAOYSA-N
XLogP3.04
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4,4-difluoropiperidin-1-yl)ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 142490916
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-morpholin-4-ylbutanoic acid
CID 146471451
2-[3-(difluoromethoxy)propyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 172529362
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
CID 10836802
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-morpholin-4-ylhexanoic acid
CID 146584722
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid
CID 172529758
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid (CID 172529253) is 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid is O=C(O)CN(CCCN1CCOCC1)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid?
The InChIKey is ZCOOBNFEESLFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c27-23(28)16-26(11-5-10-25-12-14-30-15-13-25)24(29)31-17-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,22H,5,10-17H2,(H,27,28).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid has a molecular weight of 424.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid is sourced from PubChem (CID 172529253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).