ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate

C9H19NO5 — CID 103261675

IUPACethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate
SMILESCCOC(=O)CC(O)CNOCCOC
InChIInChI=1S/C9H19NO5/c1-3-14-9(12)6-8(11)7-10-15-5-4-13-2/h8,10-11H,3-7H2,1-2H3
InChIKeyUREADCPDNFCACB-UHFFFAOYSA-N
MW221.25 g/mol
LogP-0.53
Rot. Bonds9

About ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate

ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate (PubChem CID 103261675) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate
PubChem CID103261675
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Nameethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate
SMILESCCOC(=O)CC(O)CNOCCOC
InChIInChI=1S/C9H19NO5/c1-3-14-9(12)6-8(11)7-10-15-5-4-13-2/h8,10-11H,3-7H2,1-2H3
InChIKeyUREADCPDNFCACB-UHFFFAOYSA-N
XLogP-0.53
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
CID 103261561
ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
CID 103263974
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
ethyl 3-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 106300343
ethyl (3S)-3-hydroxy-5,5-dimethoxypentanoate
CID 24795324
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
CID 103264908
ethyl 3-hydroxy-4-(2,3,4,5,6-pentafluoroanilino)butanoate
CID 103260878

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate (CID 103261675) is ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate is CCOC(=O)CC(O)CNOCCOC.
What is the InChIKey of ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate?
The InChIKey is UREADCPDNFCACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-3-14-9(12)6-8(11)7-10-15-5-4-13-2/h8,10-11H,3-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate?
ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate has a molecular weight of 221.25 g/mol, XLogP of -0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate is sourced from PubChem (CID 103261675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).