2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate

C17H26N2O4 — CID 70567030

IUPAC2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
SMILESC=CCOC(=O)[C@H](C)Nc1c(C)cccc1CC.NCC(=O)O
InChIInChI=1S/C15H21NO2.C2H5NO2/c1-5-10-18-15(17)12(4)16-14-11(3)8-7-9-13(14)6-2;3-1-2(4)5/h5,7-9,12,16H,1,6,10H2,2-4H3;1,3H2,(H,4,5)/t12-;/m0./s1
InChIKeyGGSYVNTYTHEAOT-YDALLXLXSA-N
MW322.41 g/mol
LogP2.12
Rot. Bonds7

About 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate

2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate (PubChem CID 70567030) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate.

Molecular Properties

Compound Name2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
PubChem CID70567030
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
SMILESC=CCOC(=O)[C@H](C)Nc1c(C)cccc1CC.NCC(=O)O
InChIInChI=1S/C15H21NO2.C2H5NO2/c1-5-10-18-15(17)12(4)16-14-11(3)8-7-9-13(14)6-2;3-1-2(4)5/h5,7-9,12,16H,1,6,10H2,2-4H3;1,3H2,(H,4,5)/t12-;/m0./s1
InChIKeyGGSYVNTYTHEAOT-YDALLXLXSA-N
XLogP2.12
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70568965
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
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid
CID 22814498
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
2-aminoacetic acid;2-methoxyethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate
CID 70567868
butyl 2-(2,6-diethylanilino)propanoate
CID 20574818
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
CID 20574837

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The IUPAC name of 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate (CID 70567030) is 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate.
What is the SMILES notation for 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The canonical SMILES for 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate is C=CCOC(=O)[C@H](C)Nc1c(C)cccc1CC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The InChIKey is GGSYVNTYTHEAOT-YDALLXLXSA-N. The full InChI is InChI=1S/C15H21NO2.C2H5NO2/c1-5-10-18-15(17)12(4)16-14-11(3)8-7-9-13(14)6-2;3-1-2(4)5/h5,7-9,12,16H,1,6,10H2,2-4H3;1,3H2,(H,4,5)/t12-;/m0./s1.
What are the key properties of 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate?
2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate has a molecular weight of 322.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate is sourced from PubChem (CID 70567030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).