2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid

C8H10N2O4 — CID 69469466

IUPAC2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid
SMILESO=C(O)CNc1cccn1CC(=O)O
InChIInChI=1S/C8H10N2O4/c11-7(12)4-9-6-2-1-3-10(6)5-8(13)14/h1-3,9H,4-5H2,(H,11,12)(H,13,14)
InChIKeyHLTKREDOQSHJMY-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.07
Rot. Bonds5

About 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid

2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid (PubChem CID 69469466) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid
PubChem CID69469466
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid
SMILESO=C(O)CNc1cccn1CC(=O)O
InChIInChI=1S/C8H10N2O4/c11-7(12)4-9-6-2-1-3-10(6)5-8(13)14/h1-3,9H,4-5H2,(H,11,12)(H,13,14)
InChIKeyHLTKREDOQSHJMY-UHFFFAOYSA-N
XLogP0.07
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid (CID 69469466) is 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid is O=C(O)CNc1cccn1CC(=O)O.
What is the InChIKey of 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid?
The InChIKey is HLTKREDOQSHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-7(12)4-9-6-2-1-3-10(6)5-8(13)14/h1-3,9H,4-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid?
2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid has a molecular weight of 198.18 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(carboxymethyl)pyrrol-2-yl]amino]acetic acid is sourced from PubChem (CID 69469466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).