6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

C23H26N2O5 — CID 53394943

IUPAC6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILESCC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C23H26N2O5/c1-15(26)24-13-7-6-12-21(22(27)28)25-23(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20-21H,6-7,12-14H2,1H3,(H,24,26)(H,25,29)(H,27,28)
InChIKeyHQLBYVWJOXITAM-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.28
Rot. Bonds9

About 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid (PubChem CID 53394943) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
PubChem CID53394943
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILESCC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C23H26N2O5/c1-15(26)24-13-7-6-12-21(22(27)28)25-23(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20-21H,6-7,12-14H2,1H3,(H,24,26)(H,25,29)(H,27,28)
InChIKeyHQLBYVWJOXITAM-UHFFFAOYSA-N
XLogP3.28
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid
CID 166508242
2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 166508224
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)hexanoic acid;hydrochloride
CID 175987361
(2S)-5-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 2756127
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(propan-2-ylamino)hexanoic acid;hydrochloride
CID 122173776
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
CID 103819744
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The IUPAC name of 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid (CID 53394943) is 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid is CC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The InChIKey is HQLBYVWJOXITAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-15(26)24-13-7-6-12-21(22(27)28)25-23(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20-21H,6-7,12-14H2,1H3,(H,24,26)(H,25,29)(H,27,28).
What are the key properties of 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid has a molecular weight of 410.47 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 53394943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).