9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate

C24H26N4O4 — CID 158641850

IUPAC9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate
SMILESNC(=O)Cc1nnc([C@@H](N)CCCCC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C24H26N4O4/c25-20(24-28-27-22(32-24)13-21(26)29)11-5-6-12-23(30)31-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19-20H,5-6,11-14,25H2,(H2,26,29)/t20-/m0/s1
InChIKeySUBJCSPTFOKFKU-FQEVSTJZSA-N
MW434.50 g/mol
LogP3.01
Rot. Bonds10

About 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate

9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate (PubChem CID 158641850) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate
PubChem CID158641850
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate
SMILESNC(=O)Cc1nnc([C@@H](N)CCCCC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C24H26N4O4/c25-20(24-28-27-22(32-24)13-21(26)29)11-5-6-12-23(30)31-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19-20H,5-6,11-14,25H2,(H2,26,29)/t20-/m0/s1
InChIKeySUBJCSPTFOKFKU-FQEVSTJZSA-N
XLogP3.01
TPSA134.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl N-[(1R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pentyl]carbamate
CID 175804059
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
bis(9H-fluoren-9-ylmethyl) 4,4-dimethyldecanedioate
CID 71142808
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate
CID 159835092

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate (CID 158641850) is 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate is NC(=O)Cc1nnc([C@@H](N)CCCCC(=O)OCC2c3ccccc3-c3ccccc32)o1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate?
The InChIKey is SUBJCSPTFOKFKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N4O4/c25-20(24-28-27-22(32-24)13-21(26)29)11-5-6-12-23(30)31-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19-20H,5-6,11-14,25H2,(H2,26,29)/t20-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate?
9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate has a molecular weight of 434.50 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate is sourced from PubChem (CID 158641850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).