1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid

C12H20N2O3 — CID 55164602

IUPAC1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CNC2CC2)C1
InChIInChI=1S/C12H20N2O3/c1-2-12(11(16)17)5-6-14(8-12)10(15)7-13-9-3-4-9/h9,13H,2-8H2,1H3,(H,16,17)
InChIKeyDLCZYORCZDEQBB-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds5

About 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 55164602) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID55164602
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CNC2CC2)C1
InChIInChI=1S/C12H20N2O3/c1-2-12(11(16)17)5-6-14(8-12)10(15)7-13-9-3-4-9/h9,13H,2-8H2,1H3,(H,16,17)
InChIKeyDLCZYORCZDEQBB-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145224
3-ethyl-1-[3-(ethylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63145001
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
2-(cyclopentylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163229
1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172830
3-ethyl-1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79559362
3-ethyl-1-[4-(propan-2-ylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 63145353
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
3-ethyl-1-[2-(oxolan-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 65157138
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79350941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 55164602) is 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)CNC2CC2)C1.
What is the InChIKey of 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is DLCZYORCZDEQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-12(11(16)17)5-6-14(8-12)10(15)7-13-9-3-4-9/h9,13H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55164602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).