2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid

C9H16FNO2 — CID 105443603

IUPAC2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid
SMILESNCC(CF)(C(=O)O)C1CCCC1
InChIInChI=1S/C9H16FNO2/c10-5-9(6-11,8(12)13)7-3-1-2-4-7/h7H,1-6,11H2,(H,12,13)
InChIKeyQZQRWUMEOSKKNQ-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.18
Rot. Bonds4

About 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid

2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid (PubChem CID 105443603) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid
PubChem CID105443603
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid
SMILESNCC(CF)(C(=O)O)C1CCCC1
InChIInChI=1S/C9H16FNO2/c10-5-9(6-11,8(12)13)7-3-1-2-4-7/h7H,1-6,11H2,(H,12,13)
InChIKeyQZQRWUMEOSKKNQ-UHFFFAOYSA-N
XLogP1.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid (CID 105443603) is 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid is NCC(CF)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid?
The InChIKey is QZQRWUMEOSKKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-5-9(6-11,8(12)13)7-3-1-2-4-7/h7H,1-6,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid?
2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid has a molecular weight of 189.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid is sourced from PubChem (CID 105443603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).