methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate

C17H15NO4 — CID 129387495

IUPACmethyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate
SMILESCOC(=O)[C@H](C)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C17H15NO4/c1-10(17(19)22-2)11-3-5-15-12(7-11)8-13-9-14(18(20)21)4-6-16(13)15/h3-7,9-10H,8H2,1-2H3/t10-/m1/s1
InChIKeyOLGPMKILFZERQX-SNVBAGLBSA-N
MW297.31 g/mol
LogP3.44
Rot. Bonds3

About methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate

methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate (PubChem CID 129387495) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate
PubChem CID129387495
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate
SMILESCOC(=O)[C@H](C)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C17H15NO4/c1-10(17(19)22-2)11-3-5-15-12(7-11)8-13-9-14(18(20)21)4-6-16(13)15/h3-7,9-10H,8H2,1-2H3/t10-/m1/s1
InChIKeyOLGPMKILFZERQX-SNVBAGLBSA-N
XLogP3.44
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dinitro-9H-fluorene
CID 3582885
methyl (2S)-2-(2,4-dinitrophenyl)propanoate
CID 57415967
methyl 2-(3-methoxy-4-nitrophenyl)propanoate
CID 119092971
methyl 2-[3-fluoro-4-(1-methyl-5-nitro-2-oxo-3-pyridinyl)phenyl]propanoate
CID 167761634
methyl 2-(2-fluoro-5-nitrophenyl)propanoate
CID 151047481
dimethyl 2-(4-nitrophenyl)propanedioate
CID 2764303
methyl 2-(3-acetyl-4-nitrophenyl)propanoate
CID 57255171
dimethyl 2-[1-(4-nitrophenyl)ethyl]propanedioate
CID 19027104
N,N-dimethyl-7-nitro-9H-fluoren-2-amine
CID 3762473
(7-nitro-9H-fluoren-2-yl) hydrogen sulfate
CID 54049800
methyl (2R)-2-[4-nitro-3-(trifluoromethyl)phenyl]propanoate
CID 124507305
methyl (2S)-2-[4-[(5-nitro-2-pyridinyl)amino]phenyl]propanoate
CID 125466945

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate?
The IUPAC name of methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate (CID 129387495) is methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate is COC(=O)[C@H](C)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate?
The InChIKey is OLGPMKILFZERQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10(17(19)22-2)11-3-5-15-12(7-11)8-13-9-14(18(20)21)4-6-16(13)15/h3-7,9-10H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate?
methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate has a molecular weight of 297.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate is sourced from PubChem (CID 129387495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).