2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid

C22H26N2O4 — CID 58152522

IUPAC2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid
SMILESCCCCCN(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O4/c1-2-3-8-13-24(14-21(25)26)23-22(27)28-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyZNTLYGWEWHGTLY-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.02
Rot. Bonds9

About 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid

2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid (PubChem CID 58152522) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid.

Molecular Properties

Compound Name2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid
PubChem CID58152522
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid
SMILESCCCCCN(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O4/c1-2-3-8-13-24(14-21(25)26)23-22(27)28-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyZNTLYGWEWHGTLY-UHFFFAOYSA-N
XLogP4.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
2-[decylsulfonyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid
CID 90013424
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-propylamino]acetic acid
CID 178198194
tert-butyl 2-[4-(1,3-dioxoisoindol-2-yl)butyl-(9H-fluoren-9-ylmethoxycarbonylamino)amino]acetate
CID 101025400
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-propylamino]acetic acid
CID 178198227
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]-methylamino]acetic acid
CID 73291902

Frequently Asked Questions

What is the IUPAC name of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid?
The IUPAC name of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid (CID 58152522) is 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid.
What is the SMILES notation for 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid?
The canonical SMILES for 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid is CCCCCN(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid?
The InChIKey is ZNTLYGWEWHGTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-3-8-13-24(14-21(25)26)23-22(27)28-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid?
2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid has a molecular weight of 382.46 g/mol, XLogP of 4.02, 9 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)-pentylamino]acetic acid is sourced from PubChem (CID 58152522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).