methyl 2-anilinopropanoate

C10H13NO2 — CID 3417283

IUPACmethyl 2-anilinopropanoate
SMILESCOC(=O)C(C)Nc1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(10(12)13-2)11-9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChIKeyRBAUAHIPDXKQJI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-anilinopropanoate

methyl 2-anilinopropanoate (PubChem CID 3417283) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 2-anilinopropanoate.

Molecular Properties

Compound Namemethyl 2-anilinopropanoate
PubChem CID3417283
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 2-anilinopropanoate
SMILESCOC(=O)C(C)Nc1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(10(12)13-2)11-9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChIKeyRBAUAHIPDXKQJI-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
2-anilinopropanoate
CID 19754798
(2R)-2-anilinopropanoate
CID 6946450
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
nitro (2S)-2-anilinopropanoate
CID 70085628
methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate
CID 66172915
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
2-anilinopropanoic acid;hydrochloride
CID 19096756
(2S)-2-anilinopropanethioic S-acid
CID 87999378
methyl 2-(4-cyanoanilino)propanoate
CID 43515132

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilinopropanoate?
The IUPAC name of methyl 2-anilinopropanoate (CID 3417283) is methyl 2-anilinopropanoate.
What is the SMILES notation for methyl 2-anilinopropanoate?
The canonical SMILES for methyl 2-anilinopropanoate is COC(=O)C(C)Nc1ccccc1.
What is the InChIKey of methyl 2-anilinopropanoate?
The InChIKey is RBAUAHIPDXKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(10(12)13-2)11-9-6-4-3-5-7-9/h3-8,11H,1-2H3.
What are the key properties of methyl 2-anilinopropanoate?
methyl 2-anilinopropanoate has a molecular weight of 179.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilinopropanoate is sourced from PubChem (CID 3417283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).