methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

C22H26N2O4 — CID 71250242

IUPACmethyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESCOC(=O)C(N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O4/c1-27-21(25)20(23)12-6-7-13-24-22(26)28-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-14,23H2,1H3,(H,24,26)
InChIKeyLDXZBXJAYFRKAX-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.20
Rot. Bonds8

About methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (PubChem CID 71250242) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
PubChem CID71250242
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESCOC(=O)C(N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O4/c1-27-21(25)20(23)12-6-7-13-24-22(26)28-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-14,23H2,1H3,(H,24,26)
InChIKeyLDXZBXJAYFRKAX-UHFFFAOYSA-N
XLogP3.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
CID 74765035
prop-2-enyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 25034093
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 151918287
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
(2R)-2-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2,4-diaminobutanoic acid;methyl (2R)-2-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 157351226
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate
CID 155761964
3-[2-[2-[[2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]ethoxy]ethoxy]propanoic acid
CID 170354249
3-[2-[2-[[(2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]ethoxy]ethoxy]propanoic acid
CID 170354243
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The IUPAC name of methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (CID 71250242) is methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.
What is the SMILES notation for methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The canonical SMILES for methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is COC(=O)C(N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The InChIKey is LDXZBXJAYFRKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-21(25)20(23)12-6-7-13-24-22(26)28-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-14,23H2,1H3,(H,24,26).
What are the key properties of methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate has a molecular weight of 382.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is sourced from PubChem (CID 71250242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).