methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate

C11H14N2O5 — CID 171238011

IUPACmethyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H14N2O5/c1-17-10-6-8(13(15)16)4-3-7(10)5-9(12)11(14)18-2/h3-4,6,9H,5,12H2,1-2H3/t9-/m1/s1
InChIKeySSDHARWYLUNJJZ-SECBINFHSA-N
MW254.24 g/mol
LogP0.65
Rot. Bonds5

About methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate

methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate (PubChem CID 171238011) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate
PubChem CID171238011
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namemethyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H14N2O5/c1-17-10-6-8(13(15)16)4-3-7(10)5-9(12)11(14)18-2/h3-4,6,9H,5,12H2,1-2H3/t9-/m1/s1
InChIKeySSDHARWYLUNJJZ-SECBINFHSA-N
XLogP0.65
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl 2-amino-3-(2,4-dinitrophenyl)propanoate
CID 66222638
2-[(2S)-2-amino-3-methoxy-3-oxopropyl]-5-nitrobenzoic acid
CID 171238309
methyl (2R)-2-amino-3-(2-cyano-4-nitrophenyl)propanoate
CID 171238149
methyl 2-amino-3-[2-(difluoromethoxy)-5-nitrophenyl]propanoate
CID 170883403
ethane;methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate
CID 142012617
methyl (2S)-2-amino-3-[4-(4-nitrophenoxy)phenyl]propanoate
CID 70304530
dimethyl 2-[(2-bromo-4-nitrophenyl)methyl]propanedioate
CID 103972427
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
methyl (2S)-2-amino-3-(4-fluoro-2-nitrophenyl)propanoate
CID 171238467
azane;2-(2-methoxy-4-nitrophenyl)ethanamine
CID 19827481
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate (CID 171238011) is methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate is COC(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate?
The InChIKey is SSDHARWYLUNJJZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-10-6-8(13(15)16)4-3-7(10)5-9(12)11(14)18-2/h3-4,6,9H,5,12H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate?
methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate has a molecular weight of 254.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate is sourced from PubChem (CID 171238011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).