2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid

C14H22N4O3 — CID 83063861

IUPAC2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C14H22N4O3/c1-4-14(12(19)20)6-5-8-18(14)13(21)17(3)10-11-15-7-9-16(11)2/h7,9H,4-6,8,10H2,1-3H3,(H,19,20)
InChIKeySBUXDCZPRQEWBU-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.30
Rot. Bonds4

About 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83063861) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83063861
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C14H22N4O3/c1-4-14(12(19)20)6-5-8-18(14)13(21)17(3)10-11-15-7-9-16(11)2/h7,9H,4-6,8,10H2,1-3H3,(H,19,20)
InChIKeySBUXDCZPRQEWBU-UHFFFAOYSA-N
XLogP1.30
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063863
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
(2S)-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63027065
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978445
2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83060774
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 81173284
4-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722011
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071140
(Z)-2,3-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 63270410

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 83063861) is 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)N(C)Cc1nccn1C.
What is the InChIKey of 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SBUXDCZPRQEWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-14(12(19)20)6-5-8-18(14)13(21)17(3)10-11-15-7-9-16(11)2/h7,9H,4-6,8,10H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83063861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).