1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid

C9H18N2O2 — CID 83070850

IUPAC1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCN
InChIInChI=1S/C9H18N2O2/c1-2-9(8(12)13)4-3-6-11(9)7-5-10/h2-7,10H2,1H3,(H,12,13)
InChIKeyNOLALBZCECDIKK-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.27
Rot. Bonds4

About 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid

1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83070850) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83070850
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCN
InChIInChI=1S/C9H18N2O2/c1-2-9(8(12)13)4-3-6-11(9)7-5-10/h2-7,10H2,1H3,(H,12,13)
InChIKeyNOLALBZCECDIKK-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
CID 83070929
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid
CID 83079929
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83070850) is 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CCN.
What is the InChIKey of 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is NOLALBZCECDIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-9(8(12)13)4-3-6-11(9)7-5-10/h2-7,10H2,1H3,(H,12,13).
What are the key properties of 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).