dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate

C25H23NO5 — CID 10960718

IUPACdimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate
SMILESCOC(=O)[C@@H](O)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C25H23NO5/c1-30-23(28)21(22(27)24(29)31-2)26-25(16-10-4-3-5-11-16)19-14-8-6-12-17(19)18-13-7-9-15-20(18)25/h3-15,21-22,26-27H,1-2H3/t21-,22-/m0/s1
InChIKeyASSNPIKIGAXTKJ-VXKWHMMOSA-N
MW417.46 g/mol
LogP2.62
Rot. Bonds6

About dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate

dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate (PubChem CID 10960718) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate.

Molecular Properties

Compound Namedimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate
PubChem CID10960718
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Namedimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate
SMILESCOC(=O)[C@@H](O)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C25H23NO5/c1-30-23(28)21(22(27)24(29)31-2)26-25(16-10-4-3-5-11-16)19-14-8-6-12-17(19)18-13-7-9-15-20(18)25/h3-15,21-22,26-27H,1-2H3/t21-,22-/m0/s1
InChIKeyASSNPIKIGAXTKJ-VXKWHMMOSA-N
XLogP2.62
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
CID 71346461
2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 22116668
4-hydroxy-3-methyl-2-[(9-phenylfluoren-9-yl)amino]butanamide
CID 142746764
(3S)-2-methyl-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-phenylmethoxybutanoic acid
CID 141334405
dimethyl 2-[(9-phenylfluoren-9-yl)amino]-3-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanedioate
CID 5199772
methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10788530
1-O-ethyl 5-O-methyl (4R)-4-[(9-phenylfluoren-9-yl)amino]-2-propanoylpentanedioate
CID 101072579
1-O-benzyl 4-O-methyl 2-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 66648507
(3S)-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-prop-2-enoxybutanoic acid
CID 101350894
dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate
CID 10982867

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate?
The IUPAC name of dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate (CID 10960718) is dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate.
What is the SMILES notation for dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate?
The canonical SMILES for dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate is COC(=O)[C@@H](O)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)OC.
What is the InChIKey of dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate?
The InChIKey is ASSNPIKIGAXTKJ-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H23NO5/c1-30-23(28)21(22(27)24(29)31-2)26-25(16-10-4-3-5-11-16)19-14-8-6-12-17(19)18-13-7-9-15-20(18)25/h3-15,21-22,26-27H,1-2H3/t21-,22-/m0/s1.
What are the key properties of dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate?
dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate has a molecular weight of 417.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate is sourced from PubChem (CID 10960718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).