(2R)-2-anilinopropanoate

C9H10NO2- — CID 6946450

IUPAC(2R)-2-anilinopropanoate
SMILESC[C@@H](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/t7-/m1/s1
InChIKeyXWKAVQKJQBISOL-SSDOTTSWSA-M
MW164.18 g/mol
LogP0.24
Rot. Bonds3

About (2R)-2-anilinopropanoate

(2R)-2-anilinopropanoate (PubChem CID 6946450) has the molecular formula C9H10NO2- and a molecular weight of 164.18 g/mol. Its IUPAC name is (2R)-2-anilinopropanoate.

Molecular Properties

Compound Name(2R)-2-anilinopropanoate
PubChem CID6946450
Molecular FormulaC9H10NO2-
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name(2R)-2-anilinopropanoate
SMILESC[C@@H](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/t7-/m1/s1
InChIKeyXWKAVQKJQBISOL-SSDOTTSWSA-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

2-anilinopropanoate
CID 19754798
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
2-(4-phenylanilino)propanamide
CID 60671359
acetaldehyde;2-anilinopropanoyl chloride
CID 174623203
(2S)-2-[(2,2-diphenylacetyl)amino]propanoate
CID 6946270

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilinopropanoate?
The IUPAC name of (2R)-2-anilinopropanoate (CID 6946450) is (2R)-2-anilinopropanoate.
What is the SMILES notation for (2R)-2-anilinopropanoate?
The canonical SMILES for (2R)-2-anilinopropanoate is C[C@@H](Nc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-anilinopropanoate?
The InChIKey is XWKAVQKJQBISOL-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (2R)-2-anilinopropanoate?
(2R)-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 (2R)-2-anilinopropanoate is sourced from PubChem (CID 6946450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).