2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate

C13H25NO3 — CID 106447956

IUPAC2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESCC(C)COCCOC(=O)C1(CN)CCCC1
InChIInChI=1S/C13H25NO3/c1-11(2)9-16-7-8-17-12(15)13(10-14)5-3-4-6-13/h11H,3-10,14H2,1-2H3
InChIKeyPKRKFWDNUVITAP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.72
Rot. Bonds7

About 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate

2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 106447956) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID106447956
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESCC(C)COCCOC(=O)C1(CN)CCCC1
InChIInChI=1S/C13H25NO3/c1-11(2)9-16-7-8-17-12(15)13(10-14)5-3-4-6-13/h11H,3-10,14H2,1-2H3
InChIKeyPKRKFWDNUVITAP-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

rac-ethyl (1R,2R)-2-aminocyclopentane-1-carboxylate hydrochloride
CID 71301487
Ethyl (1R,2S)-2-Aminocyclopentanecarboxylate
CID 2725068
rac-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate hydrochloride
CID 2725067
Methyl 1-(aminomethyl)cyclopentane-1-carboxylate hydrochloride
CID 43811189
Ethyl 2-amino-1-methylcyclopentanecarboxylate
CID 342522
Ethyl 1-(aminomethyl)cyclopentane-1-carboxylate hydrochloride
CID 132327910
(1R,2R)-Ethyl 2-aminocyclopentanecarboxylate
CID 6602129
Ethyl 2-aminocyclopentanecarboxylate
CID 13831726
Methyl 1-(aminomethyl)cyclopentanecarboxylate
CID 13285792
Ethyl (1S,2S)-2-aminocyclopentane-1-carboxylate hydrochloride
CID 88995938
(2-Ethoxycarbonylcyclopentyl)azanium
CID 73130407
[(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate
CID 135053932

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate (CID 106447956) is 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate is CC(C)COCCOC(=O)C1(CN)CCCC1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is PKRKFWDNUVITAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2)9-16-7-8-17-12(15)13(10-14)5-3-4-6-13/h11H,3-10,14H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 106447956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).