1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

C12H20N2O4 — CID 66236692

IUPAC1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2COCC2N)C1
InChIInChI=1S/C12H20N2O4/c1-2-12(11(16)17)3-4-14(7-12)10(15)8-5-18-6-9(8)13/h8-9H,2-7,13H2,1H3,(H,16,17)
InChIKeyBGJYVCKVJYAZNN-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.33
Rot. Bonds3

About 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 66236692) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID66236692
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2COCC2N)C1
InChIInChI=1S/C12H20N2O4/c1-2-12(11(16)17)3-4-14(7-12)10(15)8-5-18-6-9(8)13/h8-9H,2-7,13H2,1H3,(H,16,17)
InChIKeyBGJYVCKVJYAZNN-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 66236289
1-(4-aminooxolane-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 66236491
3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 66258534
1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64824663
3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383810
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
(4-aminooxolan-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 66236078
1-[(2-aminocyclohexyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149032
1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144541
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 66236692) is 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2COCC2N)C1.
What is the InChIKey of 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is BGJYVCKVJYAZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-12(11(16)17)3-4-14(7-12)10(15)8-5-18-6-9(8)13/h8-9H,2-7,13H2,1H3,(H,16,17).
What are the key properties of 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66236692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).