methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate

C12H19NO3 — CID 115617179

IUPACmethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C12H19NO3/c1-16-12(15)9-4-6-10(7-5-9)13-11(14)8-2-3-8/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyCFKFZEWAWHGYSY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.24
Rot. Bonds3

About methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate

methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate (PubChem CID 115617179) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
PubChem CID115617179
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C12H19NO3/c1-16-12(15)9-4-6-10(7-5-9)13-11(14)8-2-3-8/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyCFKFZEWAWHGYSY-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(carbamoylamino)cyclohexane-1-carboxylate
CID 47585856
methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 113259119
methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
CID 169045886
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
methyl 4-[[1-[4-(aminomethyl)phenyl]piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate
CID 19391688
4-O-[4-[4-[[4-[(4-acetylcyclohexanecarbonyl)amino]cyclohexyl]carbamoyl]cyclohexanecarbonyl]oxybutyl] 1-O-(4-methoxybutyl) cyclohexane-1,4-dicarboxylate
CID 140517688
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
methyl 4-formamidocyclohexane-1-carboxylate
CID 89096292
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
CID 143889099

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate (CID 115617179) is methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate?
The InChIKey is CFKFZEWAWHGYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-16-12(15)9-4-6-10(7-5-9)13-11(14)8-2-3-8/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate?
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115617179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).