2-(aminomethyl)-3-cyclopentylpropanoic acid

C9H17NO2 — CID 54593670

IUPAC2-(aminomethyl)-3-cyclopentylpropanoic acid
SMILESNCC(CC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c10-6-8(9(11)12)5-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeyYLRYOSMRXZIAHT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.23
Rot. Bonds4

About 2-(aminomethyl)-3-cyclopentylpropanoic acid

2-(aminomethyl)-3-cyclopentylpropanoic acid (PubChem CID 54593670) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(aminomethyl)-3-cyclopentylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-cyclopentylpropanoic acid
PubChem CID54593670
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(aminomethyl)-3-cyclopentylpropanoic acid
SMILESNCC(CC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c10-6-8(9(11)12)5-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeyYLRYOSMRXZIAHT-UHFFFAOYSA-N
XLogP1.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-cyclopentylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-cyclopentylpropanoic acid (CID 54593670) is 2-(aminomethyl)-3-cyclopentylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-cyclopentylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-cyclopentylpropanoic acid is NCC(CC1CCCC1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-cyclopentylpropanoic acid?
The InChIKey is YLRYOSMRXZIAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-6-8(9(11)12)5-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-3-cyclopentylpropanoic acid?
2-(aminomethyl)-3-cyclopentylpropanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-cyclopentylpropanoic acid is sourced from PubChem (CID 54593670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).