2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 81079851

IUPAC2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid
SMILESCCC(CN)CC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-8(7-13)6-11(15)14-10-5-3-4-9(10)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyIJSHOPPVYIKINR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.73
Rot. Bonds6

About 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid

2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 81079851) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid
PubChem CID81079851
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid
SMILESCCC(CN)CC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-8(7-13)6-11(15)14-10-5-3-4-9(10)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyIJSHOPPVYIKINR-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid (CID 81079851) is 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid is CCC(CN)CC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is IJSHOPPVYIKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-8(7-13)6-11(15)14-10-5-3-4-9(10)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid?
2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81079851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).