2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate

C19H30N2O6 — CID 70568965

IUPAC2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
SMILESCCOC(=O)C(C)OC(=O)[C@H](C)Nc1c(C)cccc1CC.NCC(=O)O
InChIInChI=1S/C17H25NO4.C2H5NO2/c1-6-14-10-8-9-11(3)15(14)18-12(4)16(19)22-13(5)17(20)21-7-2;3-1-2(4)5/h8-10,12-13,18H,6-7H2,1-5H3;1,3H2,(H,4,5)/t12-,13?;/m0./s1
InChIKeyGLJGDJCQFJNDIA-NQJMHYHOSA-N
MW382.46 g/mol
LogP1.88
Rot. Bonds8

About 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate

2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate (PubChem CID 70568965) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate.

Molecular Properties

Compound Name2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
PubChem CID70568965
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
SMILESCCOC(=O)C(C)OC(=O)[C@H](C)Nc1c(C)cccc1CC.NCC(=O)O
InChIInChI=1S/C17H25NO4.C2H5NO2/c1-6-14-10-8-9-11(3)15(14)18-12(4)16(19)22-13(5)17(20)21-7-2;3-1-2(4)5/h8-10,12-13,18H,6-7H2,1-5H3;1,3H2,(H,4,5)/t12-,13?;/m0./s1
InChIKeyGLJGDJCQFJNDIA-NQJMHYHOSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate with MolForge

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Related Compounds

2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70567030
butyl 2-(2-ethyl-6-methylanilino)propanoate
CID 20574885
2-aminoacetic acid;2-chloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70566463
2-cyanoethyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54474714
2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid
CID 22814498
(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate
CID 70598585
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
butyl 2-(2,6-diethylanilino)propanoate
CID 20574818
ethyl 2-(2-carbamothioyl-6-methylanilino)propanoate
CID 107108016
2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70568702
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
2-aminoacetic acid;2-cyanoethyl (2S)-2-(2-chloro-6-ethylanilino)propanoate
CID 70568365

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The IUPAC name of 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate (CID 70568965) is 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate.
What is the SMILES notation for 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The canonical SMILES for 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate is CCOC(=O)C(C)OC(=O)[C@H](C)Nc1c(C)cccc1CC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The InChIKey is GLJGDJCQFJNDIA-NQJMHYHOSA-N. The full InChI is InChI=1S/C17H25NO4.C2H5NO2/c1-6-14-10-8-9-11(3)15(14)18-12(4)16(19)22-13(5)17(20)21-7-2;3-1-2(4)5/h8-10,12-13,18H,6-7H2,1-5H3;1,3H2,(H,4,5)/t12-,13?;/m0./s1.
What are the key properties of 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate?
2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate has a molecular weight of 382.46 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate is sourced from PubChem (CID 70568965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).