2-methoxyethyl 3-amino-2-oxopentanoate

C8H15NO4 — CID 141214203

IUPAC2-methoxyethyl 3-amino-2-oxopentanoate
SMILESCCC(N)C(=O)C(=O)OCCOC
InChIInChI=1S/C8H15NO4/c1-3-6(9)7(10)8(11)13-5-4-12-2/h6H,3-5,9H2,1-2H3
InChIKeyWVTJAZFDVCYZFO-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.52
Rot. Bonds6

About 2-methoxyethyl 3-amino-2-oxopentanoate

2-methoxyethyl 3-amino-2-oxopentanoate (PubChem CID 141214203) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-methoxyethyl 3-amino-2-oxopentanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-amino-2-oxopentanoate
PubChem CID141214203
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-methoxyethyl 3-amino-2-oxopentanoate
SMILESCCC(N)C(=O)C(=O)OCCOC
InChIInChI=1S/C8H15NO4/c1-3-6(9)7(10)8(11)13-5-4-12-2/h6H,3-5,9H2,1-2H3
InChIKeyWVTJAZFDVCYZFO-UHFFFAOYSA-N
XLogP-0.52
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-amino-2-oxopentanoate
CID 141214202
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
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(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate
CID 11811204
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
2-methoxyethyl 2-propan-2-ylpent-2-enoate
CID 54402624
2-methoxyethyl 2-amino-4-oxopentanoate
CID 58554581
methyl 3-amino-2-propan-2-ylidenepentanoate
CID 141382793

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-amino-2-oxopentanoate?
The IUPAC name of 2-methoxyethyl 3-amino-2-oxopentanoate (CID 141214203) is 2-methoxyethyl 3-amino-2-oxopentanoate.
What is the SMILES notation for 2-methoxyethyl 3-amino-2-oxopentanoate?
The canonical SMILES for 2-methoxyethyl 3-amino-2-oxopentanoate is CCC(N)C(=O)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 3-amino-2-oxopentanoate?
The InChIKey is WVTJAZFDVCYZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-6(9)7(10)8(11)13-5-4-12-2/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-methoxyethyl 3-amino-2-oxopentanoate?
2-methoxyethyl 3-amino-2-oxopentanoate has a molecular weight of 189.21 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-amino-2-oxopentanoate is sourced from PubChem (CID 141214203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).