(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate

C18H28N2O6 — CID 70598585

IUPAC(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate
SMILESCCOC(=O)C(C)OC(=O)CN.Cc1cccc(N[C@@H](C)C(=O)O)c1C
InChIInChI=1S/C11H15NO2.C7H13NO4/c1-7-5-4-6-10(8(7)2)12-9(3)11(13)14;1-3-11-7(10)5(2)12-6(9)4-8/h4-6,9,12H,1-3H3,(H,13,14);5H,3-4,8H2,1-2H3/t9-;/m0./s1
InChIKeySAYNLXUVAWZQSU-FVGYRXGTSA-N
MW368.43 g/mol
LogP1.63
Rot. Bonds7

About (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate

(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate (PubChem CID 70598585) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate
PubChem CID70598585
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate
SMILESCCOC(=O)C(C)OC(=O)CN.Cc1cccc(N[C@@H](C)C(=O)O)c1C
InChIInChI=1S/C11H15NO2.C7H13NO4/c1-7-5-4-6-10(8(7)2)12-9(3)11(13)14;1-3-11-7(10)5(2)12-6(9)4-8/h4-6,9,12H,1-3H3,(H,13,14);5H,3-4,8H2,1-2H3/t9-;/m0./s1
InChIKeySAYNLXUVAWZQSU-FVGYRXGTSA-N
XLogP1.63
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid
CID 70598935
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
2-aminoacetic acid;2,2,2-trichloroethyl (2S)-2-(2,3-dimethylanilino)propanoate
CID 70567541
2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70568965
2-(2,3-dimethylanilino)-3-methylpentanamide
CID 174388293
2-(2-methyl-3-sulfamoylanilino)propanoic acid
CID 66173145
methyl 3-(2,3-dimethylanilino)butanoate
CID 43536788
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-(2,3-dimethylanilino)propan-1-ol
CID 21221760
2-[2-(aminomethyl)anilino]propanoic acid
CID 67615589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate?
The IUPAC name of (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate (CID 70598585) is (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate.
What is the SMILES notation for (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate?
The canonical SMILES for (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate is CCOC(=O)C(C)OC(=O)CN.Cc1cccc(N[C@@H](C)C(=O)O)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate?
The InChIKey is SAYNLXUVAWZQSU-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H15NO2.C7H13NO4/c1-7-5-4-6-10(8(7)2)12-9(3)11(13)14;1-3-11-7(10)5(2)12-6(9)4-8/h4-6,9,12H,1-3H3,(H,13,14);5H,3-4,8H2,1-2H3/t9-;/m0./s1.
What are the key properties of (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate?
(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate has a molecular weight of 368.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate is sourced from PubChem (CID 70598585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).