methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate

C10H17NO2 — CID 115016491

IUPACmethyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C2(N)CC2)CCCC1
InChIInChI=1S/C10H17NO2/c1-13-8(12)9(4-2-3-5-9)10(11)6-7-10/h2-7,11H2,1H3
InChIKeyDXMQDUDCEKPCJK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds2

About methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate

methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate (PubChem CID 115016491) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
PubChem CID115016491
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C2(N)CC2)CCCC1
InChIInChI=1S/C10H17NO2/c1-13-8(12)9(4-2-3-5-9)10(11)6-7-10/h2-7,11H2,1H3
InChIKeyDXMQDUDCEKPCJK-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate (CID 115016491) is methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate is COC(=O)C1(C2(N)CC2)CCCC1.
What is the InChIKey of methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate?
The InChIKey is DXMQDUDCEKPCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-8(12)9(4-2-3-5-9)10(11)6-7-10/h2-7,11H2,1H3.
What are the key properties of methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate?
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 115016491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).