1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid

C13H23NO2 — CID 114995058

IUPAC1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCCN(C1CC1)C1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO2/c1-2-3-10-14(11-6-7-11)13(12(15)16)8-4-5-9-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyANDVHSRMNDBMBD-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.65
Rot. Bonds6

About 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid

1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114995058) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114995058
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCCN(C1CC1)C1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO2/c1-2-3-10-14(11-6-7-11)13(12(15)16)8-4-5-9-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyANDVHSRMNDBMBD-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid (CID 114995058) is 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid is CCCCN(C1CC1)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ANDVHSRMNDBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-10-14(11-6-7-11)13(12(15)16)8-4-5-9-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid?
1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114995058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).