3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid

C10H17NO3 — CID 63146724

IUPAC3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
SMILESCCC(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-3-8(12)11-6-5-10(4-2,7-11)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyIQXIOTZYEOHLCB-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds3

About 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid

3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid (PubChem CID 63146724) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
PubChem CID63146724
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
SMILESCCC(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-3-8(12)11-6-5-10(4-2,7-11)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyIQXIOTZYEOHLCB-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[3-(ethylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63145001
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55164602
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
3-ethyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145224
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146066
1-[2-(4-bromophenyl)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63146503
3-ethyl-1-[4-(propan-2-ylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 63145353
3-ethyl-1-[2-(oxolan-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 65157138
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid (CID 63146724) is 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid is CCC(=O)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid?
The InChIKey is IQXIOTZYEOHLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8(12)11-6-5-10(4-2,7-11)9(13)14/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid?
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).