2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid

C12H23NO2 — CID 65233526

IUPAC2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid
SMILESCCCNC1(CC(=O)O)CCC(CC)C1
InChIInChI=1S/C12H23NO2/c1-3-7-13-12(9-11(14)15)6-5-10(4-2)8-12/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyIDXNHOXHMOSBEK-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds6

About 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid

2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid (PubChem CID 65233526) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid
PubChem CID65233526
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid
SMILESCCCNC1(CC(=O)O)CCC(CC)C1
InChIInChI=1S/C12H23NO2/c1-3-7-13-12(9-11(14)15)6-5-10(4-2)8-12/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyIDXNHOXHMOSBEK-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
2-[1-(1-aminopropyl)-3-ethylcyclopentyl]acetic acid
CID 66096901
2-[4-propyl-1-(propylamino)cycloheptyl]acetamide
CID 65235539
2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
CID 65236883
2-[3-methyl-1-(propylamino)cyclohexyl]acetamide
CID 65236102
2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233577
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
1-ethyl-3-methyl-N-propylcyclopentan-1-amine
CID 145367568
[3-[cyclopropylmethyl(ethyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656262
methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 107450553

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid (CID 65233526) is 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid is CCCNC1(CC(=O)O)CCC(CC)C1.
What is the InChIKey of 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid?
The InChIKey is IDXNHOXHMOSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-7-13-12(9-11(14)15)6-5-10(4-2)8-12/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid?
2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 65233526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).