1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid

C14H25N3O4 — CID 83064525

IUPAC1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C14H25N3O4/c1-5-14(11(19)20)7-6-8-17(14)9-10(18)15-12(21)16-13(2,3)4/h5-9H2,1-4H3,(H,19,20)(H2,15,16,18,21)
InChIKeyBGALXMAXSZLVQX-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.94
Rot. Bonds4

About 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83064525) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83064525
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C14H25N3O4/c1-5-14(11(19)20)7-6-8-17(14)9-10(18)15-12(21)16-13(2,3)4/h5-9H2,1-4H3,(H,19,20)(H2,15,16,18,21)
InChIKeyBGALXMAXSZLVQX-UHFFFAOYSA-N
XLogP0.94
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83064867
2-ethyl-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080375
2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080451
N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874162
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83063398
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978783
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979113

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83064525) is 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is BGALXMAXSZLVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-5-14(11(19)20)7-6-8-17(14)9-10(18)15-12(21)16-13(2,3)4/h5-9H2,1-4H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83064525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).