ethyl (2Z)-2-hydroxyimino-3-methylbutanoate

C7H13NO3 — CID 10920799

IUPACethyl (2Z)-2-hydroxyimino-3-methylbutanoate
SMILESCCOC(=O)/C(=N\O)/C(C)C
InChIInChI=1S/C7H13NO3/c1-4-11-7(9)6(8-10)5(2)3/h5,10H,4H2,1-3H3/b8-6-
InChIKeyIUJVPONWKDKNTP-VURMDHGXSA-N
MW159.18 g/mol
LogP2.20
Rot. Bonds4

About ethyl (2Z)-2-hydroxyimino-3-methylbutanoate

ethyl (2Z)-2-hydroxyimino-3-methylbutanoate (PubChem CID 10920799) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl (2Z)-2-hydroxyimino-3-methylbutanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydroxyimino-3-methylbutanoate
PubChem CID10920799
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl (2Z)-2-hydroxyimino-3-methylbutanoate
SMILESCCOC(=O)/C(=N\O)/C(C)C
InChIInChI=1S/C7H13NO3/c1-4-11-7(9)6(8-10)5(2)3/h5,10H,4H2,1-3H3/b8-6-
InChIKeyIUJVPONWKDKNTP-VURMDHGXSA-N
XLogP2.20
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity163

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxyiminopropionate
CID 9614318
2-Oxobutyric acid, ethyl ester oxime
CID 6412494
ethyl (2E)-2-hydroxyiminobutanoate
CID 6797161
Ethyl-2-hydroxyiminopropionate
CID 6399798
(E)-2-(methoxyimino)-3-methylbutanoic acid
CID 13908931
ethyl (2Z)-2-hydroxyiminopropanoate
CID 6405273
Ethyl 2-oximino-3,3-bis(trifluoromethyl) propionate
CID 13287397
ethyl (2Z)-2-hydroxyiminopentanoate
CID 9569536
Ethyl 3-(hydroxyimino)butanoate
CID 226763
ethyl (2E)-2-hydroxyimino-3-methylbutanoate
CID 11094910
methyl (2Z)-2-hydroxyimino-4-methylpentanoate
CID 20347178
Ethyl 2-diazo-3-methylbutanoate
CID 72814713

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydroxyimino-3-methylbutanoate?
The IUPAC name of ethyl (2Z)-2-hydroxyimino-3-methylbutanoate (CID 10920799) is ethyl (2Z)-2-hydroxyimino-3-methylbutanoate.
What is the SMILES notation for ethyl (2Z)-2-hydroxyimino-3-methylbutanoate?
The canonical SMILES for ethyl (2Z)-2-hydroxyimino-3-methylbutanoate is CCOC(=O)/C(=N\O)/C(C)C.
What is the InChIKey of ethyl (2Z)-2-hydroxyimino-3-methylbutanoate?
The InChIKey is IUJVPONWKDKNTP-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-11-7(9)6(8-10)5(2)3/h5,10H,4H2,1-3H3/b8-6-.
What are the key properties of ethyl (2Z)-2-hydroxyimino-3-methylbutanoate?
ethyl (2Z)-2-hydroxyimino-3-methylbutanoate has a molecular weight of 159.18 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydroxyimino-3-methylbutanoate is sourced from PubChem (CID 10920799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).