methyl 2-(methylamino)-2-(3-nitrophenyl)acetate

C10H12N2O4 — CID 54068109

IUPACmethyl 2-(methylamino)-2-(3-nitrophenyl)acetate
SMILESCNC(C(=O)OC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-11-9(10(13)16-2)7-4-3-5-8(6-7)12(14)15/h3-6,9,11H,1-2H3
InChIKeyMEMATYVUKUKCNC-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-(methylamino)-2-(3-nitrophenyl)acetate

methyl 2-(methylamino)-2-(3-nitrophenyl)acetate (PubChem CID 54068109) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 2-(methylamino)-2-(3-nitrophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-2-(3-nitrophenyl)acetate
PubChem CID54068109
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-(methylamino)-2-(3-nitrophenyl)acetate
SMILESCNC(C(=O)OC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-11-9(10(13)16-2)7-4-3-5-8(6-7)12(14)15/h3-6,9,11H,1-2H3
InChIKeyMEMATYVUKUKCNC-UHFFFAOYSA-N
XLogP1.03
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-nitrophenyl)but-3-enoate
CID 141412329
dimethyl (2S,4R)-2,4-diacetyl-3-(3-nitrophenyl)pentanedioate
CID 26975254
methyl 2-(3-nitrophenyl)pent-4-ynoate
CID 10059859
methyl (E)-2-(3-nitrophenyl)-3-oxo-5-phenylpent-4-enoate
CID 70633561
2-(3-nitrophenyl)-2-(propan-2-ylamino)acetic acid
CID 84747297
methyl 2-(3-hydroxyazetidin-1-yl)-2-(3-nitrophenyl)acetate
CID 166080080
methyl 2-(3-methoxyazetidin-1-yl)-2-(3-nitrophenyl)acetate
CID 166080243
(2S,3R)-3-methoxy-2-(methylamino)-3-(3-nitrophenyl)-1-phenylpropan-1-one
CID 914355
methyl 4-hydroxy-4-(3-nitrophenyl)butanoate
CID 54942556
methyl 2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetate
CID 607125
methyl (3R)-3-(3-nitrophenyl)pentanoate
CID 10776246
2-(2-methylpropylamino)-2-(3-nitrophenyl)acetic acid
CID 84747295

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-2-(3-nitrophenyl)acetate?
The IUPAC name of methyl 2-(methylamino)-2-(3-nitrophenyl)acetate (CID 54068109) is methyl 2-(methylamino)-2-(3-nitrophenyl)acetate.
What is the SMILES notation for methyl 2-(methylamino)-2-(3-nitrophenyl)acetate?
The canonical SMILES for methyl 2-(methylamino)-2-(3-nitrophenyl)acetate is CNC(C(=O)OC)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of methyl 2-(methylamino)-2-(3-nitrophenyl)acetate?
The InChIKey is MEMATYVUKUKCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11-9(10(13)16-2)7-4-3-5-8(6-7)12(14)15/h3-6,9,11H,1-2H3.
What are the key properties of methyl 2-(methylamino)-2-(3-nitrophenyl)acetate?
methyl 2-(methylamino)-2-(3-nitrophenyl)acetate has a molecular weight of 224.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-2-(3-nitrophenyl)acetate is sourced from PubChem (CID 54068109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).