2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate

C18H30N2O5 — CID 70567868

IUPAC2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate
SMILESCCc1cc(C)cc(C)c1N[C@@H](C)C(=O)OCCOC.NCC(=O)O
InChIInChI=1S/C16H25NO3.C2H5NO2/c1-6-14-10-11(2)9-12(3)15(14)17-13(4)16(18)20-8-7-19-5;3-1-2(4)5/h9-10,13,17H,6-8H2,1-5H3;1,3H2,(H,4,5)/t13-;/m0./s1
InChIKeyIOBCDDBLJWPVHG-ZOWNYOTGSA-N
MW354.45 g/mol
LogP1.89
Rot. Bonds8

About 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate

2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate (PubChem CID 70567868) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate.

Molecular Properties

Compound Name2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate
PubChem CID70567868
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Name2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate
SMILESCCc1cc(C)cc(C)c1N[C@@H](C)C(=O)OCCOC.NCC(=O)O
InChIInChI=1S/C16H25NO3.C2H5NO2/c1-6-14-10-11(2)9-12(3)15(14)17-13(4)16(18)20-8-7-19-5;3-1-2(4)5/h9-10,13,17H,6-8H2,1-5H3;1,3H2,(H,4,5)/t13-;/m0./s1
InChIKeyIOBCDDBLJWPVHG-ZOWNYOTGSA-N
XLogP1.89
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-amino-2-methylpropyl) 2-aminoacetate;(2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid
CID 70598826
2-amino-3-[2-[(2S)-2-(2,6-diethyl-4-methylanilino)propanoyl]oxyethylsulfanyl]propanoic acid
CID 70563195
2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70567030
2-aminoacetic acid;2-chloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70566463
2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70568965
2-aminoacetic acid;2-cyanoethyl (2S)-2-(2-chloro-6-ethylanilino)propanoate
CID 70568365
butyl 2-(2-ethyl-6-methylanilino)propanoate
CID 20574885
2-aminoacetic acid;prop-2-ynyl (2S)-2-(2,3,5-trimethylanilino)propanoate
CID 88764113
2-cyanoethyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54474714
2-aminoacetic acid;2,2,2-trichloroethyl (2S)-2-(2,5-dimethylanilino)propanoate
CID 70567745
2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid
CID 22814498
butyl 2-(2,6-diethylanilino)propanoate
CID 20574818

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate?
The IUPAC name of 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate (CID 70567868) is 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate.
What is the SMILES notation for 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate?
The canonical SMILES for 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate is CCc1cc(C)cc(C)c1N[C@@H](C)C(=O)OCCOC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate?
The InChIKey is IOBCDDBLJWPVHG-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H25NO3.C2H5NO2/c1-6-14-10-11(2)9-12(3)15(14)17-13(4)16(18)20-8-7-19-5;3-1-2(4)5/h9-10,13,17H,6-8H2,1-5H3;1,3H2,(H,4,5)/t13-;/m0./s1.
What are the key properties of 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate?
2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate has a molecular weight of 354.45 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate is sourced from PubChem (CID 70567868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).