ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate

C10H18N2O4 — CID 85434641

IUPACethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(O)CC1)=NO
InChIInChI=1S/C10H18N2O4/c1-2-16-10(14)9(11-15)7-12-5-3-8(13)4-6-12/h8,13,15H,2-7H2,1H3
InChIKeySESSGNLVBLYNJO-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate

ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate (PubChem CID 85434641) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate
PubChem CID85434641
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(O)CC1)=NO
InChIInChI=1S/C10H18N2O4/c1-2-16-10(14)9(11-15)7-12-5-3-8(13)4-6-12/h8,13,15H,2-7H2,1H3
InChIKeySESSGNLVBLYNJO-UHFFFAOYSA-N
XLogP-0.16
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate
CID 85434640
2-(4-hydroxypiperidin-1-yl)acetamide
CID 14799132
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate
CID 139266119
ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
CID 142887081
ethyl 4-(4-methylpiperidin-1-yl)-3-oxobutanoate
CID 60723053
ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370085
1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate (CID 85434641) is ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate is CCOC(=O)C(CN1CCC(O)CC1)=NO.
What is the InChIKey of ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate?
The InChIKey is SESSGNLVBLYNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-16-10(14)9(11-15)7-12-5-3-8(13)4-6-12/h8,13,15H,2-7H2,1H3.
What are the key properties of ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate?
ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate has a molecular weight of 230.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate is sourced from PubChem (CID 85434641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).