(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid

C30H25NO4 — CID 67594296

IUPAC(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid
SMILESC[C@](C(=O)O)(c1ccccc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C30H25NO4/c1-30(28(32)33,21-12-4-2-5-13-21)31(22-14-6-3-7-15-22)29(34)35-20-27-25-18-10-8-16-23(25)24-17-9-11-19-26(24)27/h2-19,27H,20H2,1H3,(H,32,33)/t30-/m1/s1
InChIKeyXHQCFGOJMDAQOJ-SSEXGKCCSA-N
MW463.53 g/mol
LogP6.44
Rot. Bonds6

About (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid

(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid (PubChem CID 67594296) has the molecular formula C30H25NO4 and a molecular weight of 463.53 g/mol. Its IUPAC name is (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid
PubChem CID67594296
Molecular FormulaC30H25NO4
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid
SMILESC[C@](C(=O)O)(c1ccccc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C30H25NO4/c1-30(28(32)33,21-12-4-2-5-13-21)31(22-14-6-3-7-15-22)29(34)35-20-27-25-18-10-8-16-23(25)24-17-9-11-19-26(24)27/h2-19,27H,20H2,1H3,(H,32,33)/t30-/m1/s1
InChIKeyXHQCFGOJMDAQOJ-SSEXGKCCSA-N
XLogP6.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 103747572
9H-fluoren-9-ylmethyl N-phenyl-N-trimethylsilylcarbamate
CID 54486413
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 103664327
(2S)-3-(9H-fluoren-9-ylmethoxy)-2-methyl-3-oxo-2-(N-phenylanilino)propanoic acid
CID 68509314
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
2-[9H-fluoren-9-ylmethoxycarbonyl(propan-2-yl)amino]-2-(4-propoxyphenyl)propanoic acid
CID 113235846
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(3-fluorophenyl)butanoic acid
CID 104982116
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 104980247
2-(2,4-dimethylphenyl)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 103664930
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid (CID 67594296) is (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid is C[C@](C(=O)O)(c1ccccc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid?
The InChIKey is XHQCFGOJMDAQOJ-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H25NO4/c1-30(28(32)33,21-12-4-2-5-13-21)31(22-14-6-3-7-15-22)29(34)35-20-27-25-18-10-8-16-23(25)24-17-9-11-19-26(24)27/h2-19,27H,20H2,1H3,(H,32,33)/t30-/m1/s1.
What are the key properties of (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid?
(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid has a molecular weight of 463.53 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid is sourced from PubChem (CID 67594296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).