1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C14H24N2O5 — CID 102782270

IUPAC1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CN(C(=O)N1CCC(C)C1C(=O)O)C(C)C
InChIInChI=1S/C14H24N2O5/c1-5-21-11(17)8-16(9(2)3)14(20)15-7-6-10(4)12(15)13(18)19/h9-10,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyXJOSQTYIHFLBAP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.17
Rot. Bonds5

About 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102782270) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102782270
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CN(C(=O)N1CCC(C)C1C(=O)O)C(C)C
InChIInChI=1S/C14H24N2O5/c1-5-21-11(17)8-16(9(2)3)14(20)15-7-6-10(4)12(15)13(18)19/h9-10,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyXJOSQTYIHFLBAP-UHFFFAOYSA-N
XLogP1.17
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-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

1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782395
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071482
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782227
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899
cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319555
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780338
1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781591
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782243
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425406

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102782270) is 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CCOC(=O)CN(C(=O)N1CCC(C)C1C(=O)O)C(C)C.
What is the InChIKey of 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is XJOSQTYIHFLBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-21-11(17)8-16(9(2)3)14(20)15-7-6-10(4)12(15)13(18)19/h9-10,12H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).