1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid

C14H28N2O2 — CID 79564018

IUPAC1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CCC)CCC1CCCC1(N)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-3-9-16(10-4-2)11-7-12-6-5-8-14(12,15)13(17)18/h12H,3-11,15H2,1-2H3,(H,17,18)
InChIKeyRKUGWMWRXVFAGX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.08
Rot. Bonds8

About 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79564018) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79564018
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CCC)CCC1CCCC1(N)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-3-9-16(10-4-2)11-7-12-6-5-8-14(12,15)13(17)18/h12H,3-11,15H2,1-2H3,(H,17,18)
InChIKeyRKUGWMWRXVFAGX-UHFFFAOYSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid (CID 79564018) is 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid is CCCN(CCC)CCC1CCCC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is RKUGWMWRXVFAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-9-16(10-4-2)11-7-12-6-5-8-14(12,15)13(17)18/h12H,3-11,15H2,1-2H3,(H,17,18).
What are the key properties of 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.39 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79564018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).