(2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid

C28H22BrNO2 — CID 10390602

IUPAC(2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1Br)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H22BrNO2/c29-25-17-9-4-10-19(25)18-26(27(31)32)30-28(20-11-2-1-3-12-20)23-15-7-5-13-21(23)22-14-6-8-16-24(22)28/h1-17,26,30H,18H2,(H,31,32)/t26-/m0/s1
InChIKeyZNJSFTUUNOPCDJ-SANMLTNESA-N
MW484.39 g/mol
LogP6.01
Rot. Bonds6

About (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid

(2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid (PubChem CID 10390602) has the molecular formula C28H22BrNO2 and a molecular weight of 484.39 g/mol. Its IUPAC name is (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid
PubChem CID10390602
Molecular FormulaC28H22BrNO2
Molecular Weight484.39 g/mol
Exact Mass483.08
IUPAC Name(2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1Br)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H22BrNO2/c29-25-17-9-4-10-19(25)18-26(27(31)32)30-28(20-11-2-1-3-12-20)23-15-7-5-13-21(23)22-14-6-8-16-24(22)28/h1-17,26,30H,18H2,(H,31,32)/t26-/m0/s1
InChIKeyZNJSFTUUNOPCDJ-SANMLTNESA-N
XLogP6.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 22116668
methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
methyl 3-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10416615
(3S)-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-prop-2-enoxybutanoic acid
CID 101350894
dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
CID 71346461
(2S)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734475
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
1-O-benzyl 4-O-methyl 2-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 66648507
methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10788530
4-hydroxy-3-methyl-2-[(9-phenylfluoren-9-yl)amino]butanamide
CID 142746764

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid?
The IUPAC name of (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid (CID 10390602) is (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid?
The canonical SMILES for (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid is O=C(O)[C@H](Cc1ccccc1Br)NC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid?
The InChIKey is ZNJSFTUUNOPCDJ-SANMLTNESA-N. The full InChI is InChI=1S/C28H22BrNO2/c29-25-17-9-4-10-19(25)18-26(27(31)32)30-28(20-11-2-1-3-12-20)23-15-7-5-13-21(23)22-14-6-8-16-24(22)28/h1-17,26,30H,18H2,(H,31,32)/t26-/m0/s1.
What are the key properties of (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid?
(2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid has a molecular weight of 484.39 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid is sourced from PubChem (CID 10390602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).