dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate

C27H27NO4 — CID 10982867

IUPACdimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate
SMILESCOC(=O)CC[C@H](CC(=O)OC)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H27NO4/c1-31-25(29)17-16-20(18-26(30)32-2)28-27(19-10-4-3-5-11-19)23-14-8-6-12-21(23)22-13-7-9-15-24(22)27/h3-15,20,28H,16-18H2,1-2H3/t20-/m1/s1
InChIKeyPAZFHNJKHBCTME-HXUWFJFHSA-N
MW429.52 g/mol
LogP4.43
Rot. Bonds8

About dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate

dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate (PubChem CID 10982867) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate.

Molecular Properties

Compound Namedimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate
PubChem CID10982867
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Namedimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate
SMILESCOC(=O)CC[C@H](CC(=O)OC)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H27NO4/c1-31-25(29)17-16-20(18-26(30)32-2)28-27(19-10-4-3-5-11-19)23-14-8-6-12-21(23)22-13-7-9-15-24(22)27/h3-15,20,28H,16-18H2,1-2H3/t20-/m1/s1
InChIKeyPAZFHNJKHBCTME-HXUWFJFHSA-N
XLogP4.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
CID 71346461
dimethyl (Z,4S)-4-[(9-phenylfluoren-9-yl)amino]hex-2-enedioate
CID 11048212
1-O-benzyl 4-O-methyl 2-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 66648507
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
(6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one
CID 11489409
methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
(2S)-2-[ethyl-(9-phenylfluoren-9-yl)amino]-4-methoxy-4-oxobutanoic acid
CID 10501979
(3S)-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-prop-2-enoxybutanoic acid
CID 101350894
dimethyl (3R)-3-[[(1S)-1-phenylethyl]amino]heptanedioate
CID 11822956
2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid
CID 175564085
tert-butyl (2S)-6-dimethoxyphosphoryl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]hexanoate
CID 10554666
1-O-ethyl 5-O-methyl (4R)-4-[(9-phenylfluoren-9-yl)amino]-2-propanoylpentanedioate
CID 101072579

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate?
The IUPAC name of dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate (CID 10982867) is dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate.
What is the SMILES notation for dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate?
The canonical SMILES for dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate is COC(=O)CC[C@H](CC(=O)OC)NC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate?
The InChIKey is PAZFHNJKHBCTME-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27NO4/c1-31-25(29)17-16-20(18-26(30)32-2)28-27(19-10-4-3-5-11-19)23-14-8-6-12-21(23)22-13-7-9-15-24(22)27/h3-15,20,28H,16-18H2,1-2H3/t20-/m1/s1.
What are the key properties of dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate?
dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate has a molecular weight of 429.52 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate is sourced from PubChem (CID 10982867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).