1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid

C14H26N2O2 — CID 79570983

IUPAC1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(CCC2CCCC2(N)C(=O)O)CC1C
InChIInChI=1S/C14H26N2O2/c1-10-8-16(9-11(10)2)7-5-12-4-3-6-14(12,15)13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18)
InChIKeyFZDLCDOPAMKYOV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds4

About 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79570983) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79570983
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(CCC2CCCC2(N)C(=O)O)CC1C
InChIInChI=1S/C14H26N2O2/c1-10-8-16(9-11(10)2)7-5-12-4-3-6-14(12,15)13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18)
InChIKeyFZDLCDOPAMKYOV-UHFFFAOYSA-N
XLogP1.55
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
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-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79570983) is 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid is CC1CN(CCC2CCCC2(N)C(=O)O)CC1C.
What is the InChIKey of 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is FZDLCDOPAMKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-8-16(9-11(10)2)7-5-12-4-3-6-14(12,15)13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18).
What are the key properties of 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79570983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).