methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate

C26H25NO5 — CID 11525620

IUPACmethyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate
SMILESCOC(=O)[C@H](OC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C26H25NO5/c1-30-25(28)24(23(27)15-17-9-3-2-4-10-17)32-26(29)31-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-24H,15-16,27H2,1H3/t23-,24+/m0/s1
InChIKeyZUSDACIDWUSPED-BJKOFHAPSA-N
MW431.49 g/mol
LogP4.06
Rot. Bonds7

About methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate

methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate (PubChem CID 11525620) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate
PubChem CID11525620
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Namemethyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate
SMILESCOC(=O)[C@H](OC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C26H25NO5/c1-30-25(28)24(23(27)15-17-9-3-2-4-10-17)32-26(29)31-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-24H,15-16,27H2,1H3/t23-,24+/m0/s1
InChIKeyZUSDACIDWUSPED-BJKOFHAPSA-N
XLogP4.06
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate with MolForge

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Related Compounds

methyl (2S)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-methylbutanoyl]oxy-3-methylbutanoate
CID 10527705
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
(2S)-3-amino-4-(4-tert-butylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)butanoic acid
CID 57349755
(2S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-fluorophenyl)butanoic acid
CID 56923916
3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-iodophenyl)butanoic acid
CID 53444975
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
(2S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(3-methylphenyl)butanoic acid
CID 56923907
9H-fluoren-9-ylmethyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
CID 2451967
9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 58868035
methyl (2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 101161019
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
CID 164606401
amino (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 174627656

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate?
The IUPAC name of methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate (CID 11525620) is methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate.
What is the SMILES notation for methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate?
The canonical SMILES for methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate is COC(=O)[C@H](OC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](N)Cc1ccccc1.
What is the InChIKey of methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate?
The InChIKey is ZUSDACIDWUSPED-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H25NO5/c1-30-25(28)24(23(27)15-17-9-3-2-4-10-17)32-26(29)31-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-24H,15-16,27H2,1H3/t23-,24+/m0/s1.
What are the key properties of methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate?
methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate has a molecular weight of 431.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylbutanoate is sourced from PubChem (CID 11525620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).