methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate

C13H22N2O3 — CID 169045886

IUPACmethyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)C2CCC(N)C2)C1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)9-3-5-11(7-9)15-12(16)8-2-4-10(14)6-8/h8-11H,2-7,14H2,1H3,(H,15,16)
InChIKeyKMLBWKNXLRCNOQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.57
Rot. Bonds3

About methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate

methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate (PubChem CID 169045886) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
PubChem CID169045886
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)C2CCC(N)C2)C1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)9-3-5-11(7-9)15-12(16)8-2-4-10(14)6-8/h8-11H,2-7,14H2,1H3,(H,15,16)
InChIKeyKMLBWKNXLRCNOQ-UHFFFAOYSA-N
XLogP0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
3-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812000
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 66032491
3-amino-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 130840799
3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119765678
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate (CID 169045886) is methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate is COC(=O)C1CCC(NC(=O)C2CCC(N)C2)C1.
What is the InChIKey of methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate?
The InChIKey is KMLBWKNXLRCNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-13(17)9-3-5-11(7-9)15-12(16)8-2-4-10(14)6-8/h8-11H,2-7,14H2,1H3,(H,15,16).
What are the key properties of methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate?
methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 169045886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).