9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate

C26H34N3O4P — CID 54069031

IUPAC9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate
SMILESCC(C)N(C(C)C)P(OCCC#N)OCC(N)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H34N3O4P/c1-18(2)29(19(3)4)34(32-15-9-14-27)33-17-25(28)26(30)31-16-24-22-12-7-5-10-20(22)21-11-6-8-13-23(21)24/h5-8,10-13,18-19,24-25H,9,15-17,28H2,1-4H3
InChIKeyMFBKVSDHOVSFTB-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.96
Rot. Bonds12

About 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate

9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate (PubChem CID 54069031) has the molecular formula C26H34N3O4P and a molecular weight of 483.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate
PubChem CID54069031
Molecular FormulaC26H34N3O4P
Molecular Weight483.55 g/mol
Exact Mass483.23
IUPAC Name9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate
SMILESCC(C)N(C(C)C)P(OCCC#N)OCC(N)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H34N3O4P/c1-18(2)29(19(3)4)34(32-15-9-14-27)33-17-25(28)26(30)31-16-24-22-12-7-5-10-20(22)21-11-6-8-13-23(21)24/h5-8,10-13,18-19,24-25H,9,15-17,28H2,1-4H3
InChIKeyMFBKVSDHOVSFTB-UHFFFAOYSA-N
XLogP4.96
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate 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

9H-fluoren-9-ylmethyl N-[[(1R,3S,4S,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]methyl]carbamate
CID 11564204
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
CID 159135242
CID 159135242
9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate
CID 98105588
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[di(propan-2-yl)amino]-[[(2S,6R)-6-ethyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]phosphanyl]oxypropanenitrile;ethane
CID 91196833
3-[[(2R,3S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 10189291
aminophosphonous acid;butane;5-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]benzene-1,3-dicarboxylic acid
CID 87256095
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 69036626

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate (CID 54069031) is 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate is CC(C)N(C(C)C)P(OCCC#N)OCC(N)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate?
The InChIKey is MFBKVSDHOVSFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N3O4P/c1-18(2)29(19(3)4)34(32-15-9-14-27)33-17-25(28)26(30)31-16-24-22-12-7-5-10-20(22)21-11-6-8-13-23(21)24/h5-8,10-13,18-19,24-25H,9,15-17,28H2,1-4H3.
What are the key properties of 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate?
9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate has a molecular weight of 483.55 g/mol, XLogP of 4.96, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate is sourced from PubChem (CID 54069031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).