2-anilinopropanoate

C9H10NO2- — CID 19754798

IUPAC2-anilinopropanoate
SMILESCC(Nc1ccccc1)C(=O)[O-]
InChIInChI=1S/C9H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/p-1
InChIKeyXWKAVQKJQBISOL-UHFFFAOYSA-M
MW164.18 g/mol
LogP0.24
Rot. Bonds3

About 2-anilinopropanoate

2-anilinopropanoate (PubChem CID 19754798) has the molecular formula C9H10NO2- and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-anilinopropanoate.

Molecular Properties

Compound Name2-anilinopropanoate
PubChem CID19754798
Molecular FormulaC9H10NO2-
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-anilinopropanoate
SMILESCC(Nc1ccccc1)C(=O)[O-]
InChIInChI=1S/C9H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/p-1
InChIKeyXWKAVQKJQBISOL-UHFFFAOYSA-M
XLogP0.24
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-anilinopropanoate
CID 6946450
methyl 2-anilinopropanoate
CID 3417283
2-anilinopropanoic acid;hydrochloride
CID 19096756
(2R)-2-(4-chloroanilino)propanoate
CID 7152546
(2S)-2-anilinopropanethioic S-acid
CID 87999378
nitro (2S)-2-anilinopropanoate
CID 70085628
2-anilino-1-phenylpropan-1-one
CID 577481
2-anilino-N'-hydroxypropanimidamide
CID 77025272
(2S)-2-anilino-2-phenylacetate
CID 6993805
acetaldehyde;2-anilinopropanoyl chloride
CID 174623203
(2S)-2-[(2,2-diphenylacetyl)amino]propanoate
CID 6946270
2-(4-phenylanilino)propanamide
CID 60671359

Frequently Asked Questions

What is the IUPAC name of 2-anilinopropanoate?
The IUPAC name of 2-anilinopropanoate (CID 19754798) is 2-anilinopropanoate.
What is the SMILES notation for 2-anilinopropanoate?
The canonical SMILES for 2-anilinopropanoate is CC(Nc1ccccc1)C(=O)[O-].
What is the InChIKey of 2-anilinopropanoate?
The InChIKey is XWKAVQKJQBISOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/p-1.
What are the key properties of 2-anilinopropanoate?
2-anilinopropanoate has a molecular weight of 164.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinopropanoate is sourced from PubChem (CID 19754798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).