2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid

C12H23NO2 — CID 63068946

IUPAC2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCN(C(C)C)C1CCCC1C(=O)O
InChIInChI=1S/C12H23NO2/c1-4-8-13(9(2)3)11-7-5-6-10(11)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyXWBKRRZBIUJKDV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds5

About 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid

2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 63068946) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
PubChem CID63068946
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCN(C(C)C)C1CCCC1C(=O)O
InChIInChI=1S/C12H23NO2/c1-4-8-13(9(2)3)11-7-5-6-10(11)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyXWBKRRZBIUJKDV-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949
2-(dipropylamino)cyclopentane-1-carboxylic acid
CID 63067720
2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 55147863
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 175073075
2-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871527
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
2-[bis(3-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 107871535
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 83817695

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid (CID 63068946) is 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid is CCCN(C(C)C)C1CCCC1C(=O)O.
What is the InChIKey of 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is XWBKRRZBIUJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-8-13(9(2)3)11-7-5-6-10(11)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid?
2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63068946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).