ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid

C19H30N2O6 — CID 70598935

IUPACethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid
SMILESCC(C)c1ccccc1N[C@@H](C)C(=O)O.CCOC(=O)C(C)OC(=O)CN
InChIInChI=1S/C12H17NO2.C7H13NO4/c1-8(2)10-6-4-5-7-11(10)13-9(3)12(14)15;1-3-11-7(10)5(2)12-6(9)4-8/h4-9,13H,1-3H3,(H,14,15);5H,3-4,8H2,1-2H3/t9-;/m0./s1
InChIKeyGQCRELOVAMLOMW-FVGYRXGTSA-N
MW382.46 g/mol
LogP2.13
Rot. Bonds8

About ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid

ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid (PubChem CID 70598935) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid.

Molecular Properties

Compound Nameethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid
PubChem CID70598935
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Nameethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid
SMILESCC(C)c1ccccc1N[C@@H](C)C(=O)O.CCOC(=O)C(C)OC(=O)CN
InChIInChI=1S/C12H17NO2.C7H13NO4/c1-8(2)10-6-4-5-7-11(10)13-9(3)12(14)15;1-3-11-7(10)5(2)12-6(9)4-8/h4-9,13H,1-3H3,(H,14,15);5H,3-4,8H2,1-2H3/t9-;/m0./s1
InChIKeyGQCRELOVAMLOMW-FVGYRXGTSA-N
XLogP2.13
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate
CID 70598585
2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
CID 22814511
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 88764200
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 70582155
ethyl 2-[2-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)anilino]propanoate
CID 91740541
2-[2-(aminomethyl)anilino]propanoic acid
CID 67615589
2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 70568138
ethyl 2-(3-phenylpropanoyloxy)propanoate
CID 13096485
(2S)-2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]propanoic acid
CID 83194689
2-(2-aminoanilino)propanoic acid
CID 67237083

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid?
The IUPAC name of ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid (CID 70598935) is ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid.
What is the SMILES notation for ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid?
The canonical SMILES for ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid is CC(C)c1ccccc1N[C@@H](C)C(=O)O.CCOC(=O)C(C)OC(=O)CN.
What is the InChIKey of ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid?
The InChIKey is GQCRELOVAMLOMW-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H17NO2.C7H13NO4/c1-8(2)10-6-4-5-7-11(10)13-9(3)12(14)15;1-3-11-7(10)5(2)12-6(9)4-8/h4-9,13H,1-3H3,(H,14,15);5H,3-4,8H2,1-2H3/t9-;/m0./s1.
What are the key properties of ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid?
ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid has a molecular weight of 382.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid is sourced from PubChem (CID 70598935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).