2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid

C10H19NO3 — CID 65050864

IUPAC2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid
SMILESCCC(OC1(CN)CCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-8(9(12)13)14-10(7-11)5-3-4-6-10/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyBAYBIRKXYKVVIJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.14
Rot. Bonds5

About 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid

2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid (PubChem CID 65050864) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid
PubChem CID65050864
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid
SMILESCCC(OC1(CN)CCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-8(9(12)13)14-10(7-11)5-3-4-6-10/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyBAYBIRKXYKVVIJ-UHFFFAOYSA-N
XLogP1.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butan-2-yloxycycloheptyl)methanamine
CID 62108575
(1-butan-2-yloxycyclohexyl)methanamine
CID 62108209
3-[1-(aminomethyl)cyclooctyl]oxybutan-2-ol
CID 103376997
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]oxybutanoate
CID 65052800
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
CID 65051264
2-[(1-aminocyclohexyl)methoxy]butanoic acid
CID 106940020
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 65050602
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypentanoate
CID 83036421
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65050882
2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide
CID 65051692

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid (CID 65050864) is 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid is CCC(OC1(CN)CCCC1)C(=O)O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid?
The InChIKey is BAYBIRKXYKVVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-8(9(12)13)14-10(7-11)5-3-4-6-10/h8H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid?
2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid is sourced from PubChem (CID 65050864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).