1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid

C13H19N3O4 — CID 79324616

IUPAC1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid
SMILESCCCNC(=O)C(C)NC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-3-6-14-12(18)9(2)15-11(17)8-16-7-4-5-10(16)13(19)20/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyDIKMNMAHYNVKTH-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.22
Rot. Bonds7

About 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid

1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid (PubChem CID 79324616) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid
PubChem CID79324616
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid
SMILESCCCNC(=O)C(C)NC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-3-6-14-12(18)9(2)15-11(17)8-16-7-4-5-10(16)13(19)20/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyDIKMNMAHYNVKTH-UHFFFAOYSA-N
XLogP0.22
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114176556
1-[2-(4-methylsulfinylbutan-2-ylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 113493694
1-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324084
1-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325278
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324085
1-[2-(2-methylsulfanylethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324918
1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325047
1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323747
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79324939
1-[2-[(4-amino-4-oxobutyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324897

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid (CID 79324616) is 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid is CCCNC(=O)C(C)NC(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid?
The InChIKey is DIKMNMAHYNVKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-6-14-12(18)9(2)15-11(17)8-16-7-4-5-10(16)13(19)20/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,18)(H,15,17)(H,19,20).
What are the key properties of 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid?
1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).