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

C9H16N2O3 — CID 83070500

IUPAC1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)CN
InChIInChI=1S/C9H16N2O3/c1-2-9(8(13)14)4-3-5-11(9)7(12)6-10/h2-6,10H2,1H3,(H,13,14)
InChIKeyXFVRFWZURDOYBA-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.20
Rot. Bonds3

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

1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83070500) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83070500
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)CN
InChIInChI=1S/C9H16N2O3/c1-2-9(8(13)14)4-3-5-11(9)7(12)6-10/h2-6,10H2,1H3,(H,13,14)
InChIKeyXFVRFWZURDOYBA-UHFFFAOYSA-N
XLogP-0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
1-[3-(aminomethyl)pentanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070345
1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071106
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 83070348
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
1-[2-[2-(aminomethyl)phenyl]acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83058477
2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
CID 112602393
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83070500) is 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)CN.
What is the InChIKey of 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is XFVRFWZURDOYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-9(8(13)14)4-3-5-11(9)7(12)6-10/h2-6,10H2,1H3,(H,13,14).
What are the key properties of 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).