methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate

C10H17NO4 — CID 112535163

IUPACmethyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O)(CNC=O)CC1
InChIInChI=1S/C10H17NO4/c1-15-9(13)8-2-4-10(14,5-3-8)6-11-7-12/h7-8,14H,2-6H2,1H3,(H,11,12)
InChIKeyFCHDNZZGQHRHHO-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.17
Rot. Bonds4

About methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate

methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate (PubChem CID 112535163) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate
PubChem CID112535163
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O)(CNC=O)CC1
InChIInChI=1S/C10H17NO4/c1-15-9(13)8-2-4-10(14,5-3-8)6-11-7-12/h7-8,14H,2-6H2,1H3,(H,11,12)
InChIKeyFCHDNZZGQHRHHO-UHFFFAOYSA-N
XLogP-0.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(aminomethyl)-4-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 75537501
methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 112535165
ethyl 4-hydroxy-4-[(prop-2-enylamino)methyl]cyclohexane-1-carboxylate
CID 106498924
methyl 4-hydroxy-4-[[(2-pyridin-4-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 112535118
ethyl 4-hydroxy-4-[(3-methylbut-2-enylamino)methyl]cyclohexane-1-carboxylate
CID 106190532
methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 112535145
methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 84580125
ethyl 4-hydroxy-4-[(piperidin-1-ylamino)methyl]cyclohexane-1-carboxylate
CID 106499676
ethyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499098
methyl 4-formamidocyclohexane-1-carboxylate
CID 89096292
N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide
CID 54523521
methyl 2-ethylspiro[2.5]octane-6-carboxylate
CID 141349397

Frequently Asked Questions

What is the IUPAC name of methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate (CID 112535163) is methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate is COC(=O)C1CCC(O)(CNC=O)CC1.
What is the InChIKey of methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate?
The InChIKey is FCHDNZZGQHRHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-9(13)8-2-4-10(14,5-3-8)6-11-7-12/h7-8,14H,2-6H2,1H3,(H,11,12).
What are the key properties of methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate?
methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 112535163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).