1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C12H17N3O4 — CID 79324543

IUPAC1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-14(7-10(16)13-2)11(17)8-15-6-4-5-9(15)12(18)19/h4-6H,3,7-8H2,1-2H3,(H,13,16)(H,18,19)
InChIKeyRWOOELITUYVDQD-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.22
Rot. Bonds6

About 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79324543) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79324543
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-14(7-10(16)13-2)11(17)8-15-6-4-5-9(15)12(18)19/h4-6H,3,7-8H2,1-2H3,(H,13,16)(H,18,19)
InChIKeyRWOOELITUYVDQD-UHFFFAOYSA-N
XLogP-0.22
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324985
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 47106733
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324558
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid
CID 79324616
1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323747
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
CID 103428848
1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325047
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
1-[2-(2-methylsulfanylethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324918

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79324543) is 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid is CCN(CC(=O)NC)C(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is RWOOELITUYVDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-14(7-10(16)13-2)11(17)8-15-6-4-5-9(15)12(18)19/h4-6H,3,7-8H2,1-2H3,(H,13,16)(H,18,19).
What are the key properties of 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).