2-[cyclopentyl(3-fluoropropyl)amino]acetic acid

C10H18FNO2 — CID 81113048

IUPAC2-[cyclopentyl(3-fluoropropyl)amino]acetic acid
SMILESO=C(O)CN(CCCF)C1CCCC1
InChIInChI=1S/C10H18FNO2/c11-6-3-7-12(8-10(13)14)9-4-1-2-5-9/h9H,1-8H2,(H,13,14)
InChIKeyXAMWYMIFJXCMAY-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.68
Rot. Bonds6

About 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid

2-[cyclopentyl(3-fluoropropyl)amino]acetic acid (PubChem CID 81113048) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(3-fluoropropyl)amino]acetic acid
PubChem CID81113048
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-[cyclopentyl(3-fluoropropyl)amino]acetic acid
SMILESO=C(O)CN(CCCF)C1CCCC1
InChIInChI=1S/C10H18FNO2/c11-6-3-7-12(8-10(13)14)9-4-1-2-5-9/h9H,1-8H2,(H,13,14)
InChIKeyXAMWYMIFJXCMAY-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid (CID 81113048) is 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid is O=C(O)CN(CCCF)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid?
The InChIKey is XAMWYMIFJXCMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c11-6-3-7-12(8-10(13)14)9-4-1-2-5-9/h9H,1-8H2,(H,13,14).
What are the key properties of 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid?
2-[cyclopentyl(3-fluoropropyl)amino]acetic acid has a molecular weight of 203.26 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3-fluoropropyl)amino]acetic acid is sourced from PubChem (CID 81113048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).