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

C11H18N2O3 — CID 83070879

IUPAC1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1(N)CC1
InChIInChI=1S/C11H18N2O3/c1-2-11(9(15)16)4-3-7-13(11)8(14)10(12)5-6-10/h2-7,12H2,1H3,(H,15,16)
InChIKeyJSZRWXRXEWQDOL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.33
Rot. Bonds3

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

1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83070879) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83070879
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1(N)CC1
InChIInChI=1S/C11H18N2O3/c1-2-11(9(15)16)4-3-7-13(11)8(14)10(12)5-6-10/h2-7,12H2,1H3,(H,15,16)
InChIKeyJSZRWXRXEWQDOL-UHFFFAOYSA-N
XLogP0.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976137
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 83070348
2-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83070679
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 113353589
2-ethyl-1-[2-(thian-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 83145192
1-[3-(aminomethyl)pentanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070345
1-but-2-ynoyl-2-ethylpyrrolidine-2-carboxylic acid
CID 107986958

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83070879) is 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)C1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is JSZRWXRXEWQDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-11(9(15)16)4-3-7-13(11)8(14)10(12)5-6-10/h2-7,12H2,1H3,(H,15,16).
What are the key properties of 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).