2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid

C11H20N2O2 — CID 83848977

IUPAC2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
SMILESCCC1N(C2CC2)CCC1(N)CC(=O)O
InChIInChI=1S/C11H20N2O2/c1-2-9-11(12,7-10(14)15)5-6-13(9)8-3-4-8/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyCVGRBMYICHODCQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.81
Rot. Bonds4

About 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid

2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid (PubChem CID 83848977) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
PubChem CID83848977
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
SMILESCCC1N(C2CC2)CCC1(N)CC(=O)O
InChIInChI=1S/C11H20N2O2/c1-2-9-11(12,7-10(14)15)5-6-13(9)8-3-4-8/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyCVGRBMYICHODCQ-UHFFFAOYSA-N
XLogP0.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid
CID 55288762
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 83848115
2-(1-amino-2-tert-butylcyclohexyl)acetic acid
CID 64663875
2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83847805
2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid
CID 105466778
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2-(1-amino-4-methylcyclohexyl)acetic acid
CID 64664304
2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
CID 130526238
2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
CID 117013254

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid (CID 83848977) is 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid is CCC1N(C2CC2)CCC1(N)CC(=O)O.
What is the InChIKey of 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid?
The InChIKey is CVGRBMYICHODCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-9-11(12,7-10(14)15)5-6-13(9)8-3-4-8/h8-9H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid?
2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 83848977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).