ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate

C10H18N2O4 — CID 7278066

IUPACethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate
SMILESCCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)OC
InChIInChI=1S/C10H18N2O4/c1-5-8(9(13)16-6-2)7(3)11-12-10(14)15-4/h8H,5-6H2,1-4H3,(H,12,14)/b11-7-/t8-/m0/s1
InChIKeyKIJFHZRXZBDISU-CLUBXZQOSA-N
MW230.26 g/mol
LogP1.31
Rot. Bonds5

About ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate

ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate (PubChem CID 7278066) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate.

Molecular Properties

Compound Nameethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate
PubChem CID7278066
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate
SMILESCCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)OC
InChIInChI=1S/C10H18N2O4/c1-5-8(9(13)16-6-2)7(3)11-12-10(14)15-4/h8H,5-6H2,1-4H3,(H,12,14)/b11-7-/t8-/m0/s1
InChIKeyKIJFHZRXZBDISU-CLUBXZQOSA-N
XLogP1.31
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[N-(methoxycarbonylamino)-C-methylcarbonimidoyl]pentanoate
CID 3255004
ethyl (2S)-2-ethyl-3-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]butanoate
CID 129449329
ethyl 2-ethyl-3-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]butanoate
CID 3256657
ethyl (2R)-3-[(4-chlorobenzoyl)hydrazinylidene]-2-ethylbutanoate
CID 129460363
1-O-ethyl 3-O-methyl (2S)-2-ethylpropanedioate
CID 34173637
ethyl 2-ethyl-3-(phenylcarbamothioylhydrazinylidene)butanoate
CID 5088683
ethyl (2S)-2-ethyl-3-[(3-methylbenzoyl)hydrazinylidene]butanoate
CID 7104050
ethyl (3Z)-2-ethyl-3-[(3-methylbenzoyl)hydrazinylidene]butanoate
CID 6054754
ethyl (2S,3E)-3-[(3-bromobenzoyl)hydrazinylidene]-2-ethylbutanoate
CID 7375400
ethyl 2-ethyl-3-[(2-nitrobenzoyl)hydrazinylidene]butanoate
CID 2858115
methyl (3E)-2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate
CID 134897095
methyl N-(dipropoxymethylideneamino)carbamate
CID 22617107

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate?
The IUPAC name of ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate (CID 7278066) is ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate.
What is the SMILES notation for ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate?
The canonical SMILES for ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate is CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)OC.
What is the InChIKey of ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate?
The InChIKey is KIJFHZRXZBDISU-CLUBXZQOSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-8(9(13)16-6-2)7(3)11-12-10(14)15-4/h8H,5-6H2,1-4H3,(H,12,14)/b11-7-/t8-/m0/s1.
What are the key properties of ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate?
ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate has a molecular weight of 230.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate is sourced from PubChem (CID 7278066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).