methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate

C23H21NO2 — CID 132933261

IUPACmethyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21NO2/c1-16(22(25)26-2)24-23(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)23/h3-16,24H,1-2H3/t16-/m0/s1
InChIKeyXSOIJEWXFVVKFA-INIZCTEOSA-N
MW343.43 g/mol
LogP4.11
Rot. Bonds4

About methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate

methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate (PubChem CID 132933261) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
PubChem CID132933261
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Namemethyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21NO2/c1-16(22(25)26-2)24-23(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)23/h3-16,24H,1-2H3/t16-/m0/s1
InChIKeyXSOIJEWXFVVKFA-INIZCTEOSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 22116668
dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 10960718
methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
CID 71346461
4-hydroxy-3-methyl-2-[(9-phenylfluoren-9-yl)amino]butanamide
CID 142746764
methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10788530
(3S)-2-methyl-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-phenylmethoxybutanoic acid
CID 141334405
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
(2S,4S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(9-phenylfluoren-9-yl)amino]pentanoic acid
CID 10551810
dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate
CID 10982867
2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid
CID 175564085

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate (CID 132933261) is methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate is COC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate?
The InChIKey is XSOIJEWXFVVKFA-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21NO2/c1-16(22(25)26-2)24-23(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)23/h3-16,24H,1-2H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate?
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate has a molecular weight of 343.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate is sourced from PubChem (CID 132933261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).