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

C10H21NO4 — CID 103261561

IUPACethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
SMILESCCOC(=O)CC(O)CNOCC(C)C
InChIInChI=1S/C10H21NO4/c1-4-14-10(13)5-9(12)6-11-15-7-8(2)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyHCBRXHLWABAICO-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.48
Rot. Bonds8

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

ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate (PubChem CID 103261561) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
PubChem CID103261561
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
SMILESCCOC(=O)CC(O)CNOCC(C)C
InChIInChI=1S/C10H21NO4/c1-4-14-10(13)5-9(12)6-11-15-7-8(2)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyHCBRXHLWABAICO-UHFFFAOYSA-N
XLogP0.48
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyethoxyamino)butanoate
CID 103261675
ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
CID 103263974
ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
CID 103264908
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
2-amino-3-(2-methylpropoxyamino)propanoic acid
CID 103261578
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
ethyl 3-hydroxy-4-(2-methylsulfinylpropylamino)butanoate
CID 103265700
ethyl 3-hydroxy-4-(2-methylpropylsulfanyl)butanoate
CID 82775235
1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol
CID 82714833
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate
CID 21279281
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate (CID 103261561) is ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate is CCOC(=O)CC(O)CNOCC(C)C.
What is the InChIKey of ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate?
The InChIKey is HCBRXHLWABAICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-14-10(13)5-9(12)6-11-15-7-8(2)3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate?
ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate has a molecular weight of 219.28 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate is sourced from PubChem (CID 103261561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).