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

C10H19NO3 — CID 106940205

IUPAC2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid
SMILESCCC(OC1CCCC1CN)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-8(10(12)13)14-9-5-3-4-7(9)6-11/h7-9H,2-6,11H2,1H3,(H,12,13)
InChIKeyKVUPVVINYMFQSN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.99
Rot. Bonds5

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

2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid (PubChem CID 106940205) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid
PubChem CID106940205
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid
SMILESCCC(OC1CCCC1CN)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-8(10(12)13)14-9-5-3-4-7(9)6-11/h7-9H,2-6,11H2,1H3,(H,12,13)
InChIKeyKVUPVVINYMFQSN-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid?
The IUPAC name of 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid (CID 106940205) is 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid is CCC(OC1CCCC1CN)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid?
The InChIKey is KVUPVVINYMFQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-8(10(12)13)14-9-5-3-4-7(9)6-11/h7-9H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid?
2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclopentyl]oxybutanoic acid is sourced from PubChem (CID 106940205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).