methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate

C29H31NO2 — CID 10788530

IUPACmethyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
SMILESCOC(=O)[C@H](CC1CCCCC1)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H31NO2/c1-32-28(31)27(20-21-12-4-2-5-13-21)30-29(22-14-6-3-7-15-22)25-18-10-8-16-23(25)24-17-9-11-19-26(24)29/h3,6-11,14-19,21,27,30H,2,4-5,12-13,20H2,1H3/t27-/m0/s1
InChIKeyKAKTWOOXRAJVLS-MHZLTWQESA-N
MW425.57 g/mol
LogP6.06
Rot. Bonds6

About methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate

methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate (PubChem CID 10788530) has the molecular formula C29H31NO2 and a molecular weight of 425.57 g/mol. Its IUPAC name is methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
PubChem CID10788530
Molecular FormulaC29H31NO2
Molecular Weight425.57 g/mol
Exact Mass425.24
IUPAC Namemethyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
SMILESCOC(=O)[C@H](CC1CCCCC1)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H31NO2/c1-32-28(31)27(20-21-12-4-2-5-13-21)30-29(22-14-6-3-7-15-22)25-18-10-8-16-23(25)24-17-9-11-19-26(24)29/h3,6-11,14-19,21,27,30H,2,4-5,12-13,20H2,1H3/t27-/m0/s1
InChIKeyKAKTWOOXRAJVLS-MHZLTWQESA-N
XLogP6.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
CID 71346461
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
(3S)-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-prop-2-enoxybutanoic acid
CID 101350894
1-O-benzyl 4-O-methyl 2-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 66648507
1-O-ethyl 5-O-methyl (4R)-4-[(9-phenylfluoren-9-yl)amino]-2-propanoylpentanedioate
CID 101072579
dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 10960718
methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]-3-phenylmethoxypropanoyl]amino]propanoate
CID 10627351
cyclohexylmethyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90407711
dimethyl (Z,4S)-4-[(9-phenylfluoren-9-yl)amino]hex-2-enedioate
CID 11048212
2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 22116668
acetic acid;3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131675536

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate?
The IUPAC name of methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate (CID 10788530) is methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate is COC(=O)[C@H](CC1CCCCC1)NC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate?
The InChIKey is KAKTWOOXRAJVLS-MHZLTWQESA-N. The full InChI is InChI=1S/C29H31NO2/c1-32-28(31)27(20-21-12-4-2-5-13-21)30-29(22-14-6-3-7-15-22)25-18-10-8-16-23(25)24-17-9-11-19-26(24)29/h3,6-11,14-19,21,27,30H,2,4-5,12-13,20H2,1H3/t27-/m0/s1.
What are the key properties of methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate?
methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate has a molecular weight of 425.57 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate is sourced from PubChem (CID 10788530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).