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

C9H17NO3 — CID 106940178

IUPAC2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid
SMILESCC(OC1CCCC1CN)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(9(11)12)13-8-4-2-3-7(8)5-10/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyUCEXZJXFQDLJBE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.60
Rot. Bonds4

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

2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid (PubChem CID 106940178) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid
PubChem CID106940178
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid
SMILESCC(OC1CCCC1CN)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(9(11)12)13-8-4-2-3-7(8)5-10/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyUCEXZJXFQDLJBE-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.60
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]oxypropanoic acid?
The IUPAC name of 2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid (CID 106940178) is 2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid is CC(OC1CCCC1CN)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid?
The InChIKey is UCEXZJXFQDLJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(9(11)12)13-8-4-2-3-7(8)5-10/h6-8H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid?
2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclopentyl]oxypropanoic acid is sourced from PubChem (CID 106940178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).