ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid

C10H19ClN2O4 — CID 174958669

IUPACethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid
SMILESCCOC(=O)Cl.NNC1CCC(C(=O)O)CC1
InChIInChI=1S/C7H14N2O2.C3H5ClO2/c8-9-6-3-1-5(2-4-6)7(10)11;1-2-6-3(4)5/h5-6,9H,1-4,8H2,(H,10,11);2H2,1H3
InChIKeyXSTPURNTEAQQHW-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.47
Rot. Bonds3

About ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid

ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid (PubChem CID 174958669) has the molecular formula C10H19ClN2O4 and a molecular weight of 266.72 g/mol. Its IUPAC name is ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nameethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid
PubChem CID174958669
Molecular FormulaC10H19ClN2O4
Molecular Weight266.72 g/mol
Exact Mass266.10
IUPAC Nameethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid
SMILESCCOC(=O)Cl.NNC1CCC(C(=O)O)CC1
InChIInChI=1S/C7H14N2O2.C3H5ClO2/c8-9-6-3-1-5(2-4-6)7(10)11;1-2-6-3(4)5/h5-6,9H,1-4,8H2,(H,10,11);2H2,1H3
InChIKeyXSTPURNTEAQQHW-UHFFFAOYSA-N
XLogP1.47
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
ethyl 4-hydroxycyclohexane-1-carboxylate;4-hydroxycyclohexane-1-carboxylic acid
CID 161494785
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylate
CID 115924325
sodium;ethyl carbonochloridate;hydroxide
CID 159645066
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 3-(pentan-3-ylamino)cyclopentane-1-carboxylate
CID 104628488
3-[(4-ethoxycarbonylcyclohexyl)amino]-3-oxopropanoic acid
CID 62230215
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173

Frequently Asked Questions

What is the IUPAC name of ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid?
The IUPAC name of ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid (CID 174958669) is ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid.
What is the SMILES notation for ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid?
The canonical SMILES for ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid is CCOC(=O)Cl.NNC1CCC(C(=O)O)CC1.
What is the InChIKey of ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid?
The InChIKey is XSTPURNTEAQQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C3H5ClO2/c8-9-6-3-1-5(2-4-6)7(10)11;1-2-6-3(4)5/h5-6,9H,1-4,8H2,(H,10,11);2H2,1H3.
What are the key properties of ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid?
ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid has a molecular weight of 266.72 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 174958669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).