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

C11H14N4O5 — CID 79324985

IUPAC1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESNC(=O)CN(CC(N)=O)C(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C11H14N4O5/c12-8(16)4-15(5-9(13)17)10(18)6-14-3-1-2-7(14)11(19)20/h1-3H,4-6H2,(H2,12,16)(H2,13,17)(H,19,20)
InChIKeyNEOXZSDATLRXOI-UHFFFAOYSA-N
MW282.26 g/mol
LogP-2.01
Rot. Bonds7

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

1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79324985) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79324985
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESNC(=O)CN(CC(N)=O)C(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C11H14N4O5/c12-8(16)4-15(5-9(13)17)10(18)6-14-3-1-2-7(14)11(19)20/h1-3H,4-6H2,(H2,12,16)(H2,13,17)(H,19,20)
InChIKeyNEOXZSDATLRXOI-UHFFFAOYSA-N
XLogP-2.01
TPSA148.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrole-2-Carboxylic Acid
CID 12473
Pyrrole-2-Carboxylate
CID 3330246
5-Acetamidopyridine-2-carboxylic acid
CID 5278292
1-Phenylpyrrole-2-carboxylic acid
CID 227455
1-Benzyl-1H-pyrrole-2-carboxylic acid
CID 14985839
1-Methyl-2-pyrrolecarboxylic acid
CID 81453
4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid
CID 2735636
4-bromo-1-methyl-1H-pyrrole-2-carboxylic acid
CID 8893259
1-(tert-Butyl) 2-methyl 1H-pyrrole-1,2-dicarboxylate
CID 11241609
4-fluoro-1H-pyrrole-2-carboxylic acid
CID 55297443
4-iodo-1H-pyrrole-2-carboxylic acid
CID 11031897
4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid
CID 3330245

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79324985) is 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is NC(=O)CN(CC(N)=O)C(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is NEOXZSDATLRXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c12-8(16)4-15(5-9(13)17)10(18)6-14-3-1-2-7(14)11(19)20/h1-3H,4-6H2,(H2,12,16)(H2,13,17)(H,19,20).
What are the key properties of 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of -2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).