methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate

C13H26N2O5 — CID 156858129

IUPACmethyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate
SMILESCCOCCOCCN(C)C(=O)CC[C@H](N)C(=O)OC
InChIInChI=1S/C13H26N2O5/c1-4-19-9-10-20-8-7-15(2)12(16)6-5-11(14)13(17)18-3/h11H,4-10,14H2,1-3H3/t11-/m0/s1
InChIKeyPCXFUXGMAOXJIO-NSHDSACASA-N
MW290.36 g/mol
LogP-0.22
Rot. Bonds11

About methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate

methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate (PubChem CID 156858129) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate
PubChem CID156858129
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Namemethyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate
SMILESCCOCCOCCN(C)C(=O)CC[C@H](N)C(=O)OC
InChIInChI=1S/C13H26N2O5/c1-4-19-9-10-20-8-7-15(2)12(16)6-5-11(14)13(17)18-3/h11H,4-10,14H2,1-3H3/t11-/m0/s1
InChIKeyPCXFUXGMAOXJIO-NSHDSACASA-N
XLogP-0.22
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide
CID 81059329
2-amino-N-(2-ethoxyethyl)-N-methylpentanamide
CID 81058843
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
methyl (2S)-2-amino-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoate;hydrochloride
CID 168741293
6-amino-N-(2-ethoxyethyl)-N-methylhexanamide
CID 81059139
4-[2-[2-[2-[3-carboxypropanoyl(methyl)amino]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
CID 125495900
methyl 2-amino-4-[di(propan-2-yl)amino]butanoate
CID 12833060
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81059200
methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate
CID 62590846
6-amino-4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-methylhexanamide
CID 114243064

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate?
The IUPAC name of methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate (CID 156858129) is methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate.
What is the SMILES notation for methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate?
The canonical SMILES for methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate is CCOCCOCCN(C)C(=O)CC[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate?
The InChIKey is PCXFUXGMAOXJIO-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O5/c1-4-19-9-10-20-8-7-15(2)12(16)6-5-11(14)13(17)18-3/h11H,4-10,14H2,1-3H3/t11-/m0/s1.
What are the key properties of methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate?
methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate has a molecular weight of 290.36 g/mol, XLogP of -0.22, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate is sourced from PubChem (CID 156858129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).