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

C10H14N2O4 — CID 69020828

IUPAC2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCn1cccc1)CC(=O)O
InChIInChI=1S/C10H14N2O4/c13-9(14)7-12(8-10(15)16)6-5-11-3-1-2-4-11/h1-4H,5-8H2,(H,13,14)(H,15,16)
InChIKeyUCRYZQGROIJPCI-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.04
Rot. Bonds7

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

2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid (PubChem CID 69020828) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid
PubChem CID69020828
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCn1cccc1)CC(=O)O
InChIInChI=1S/C10H14N2O4/c13-9(14)7-12(8-10(15)16)6-5-11-3-1-2-4-11/h1-4H,5-8H2,(H,13,14)(H,15,16)
InChIKeyUCRYZQGROIJPCI-UHFFFAOYSA-N
XLogP-0.04
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid (CID 69020828) is 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid is O=C(O)CN(CCn1cccc1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid?
The InChIKey is UCRYZQGROIJPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-9(14)7-12(8-10(15)16)6-5-11-3-1-2-4-11/h1-4H,5-8H2,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid?
2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid is sourced from PubChem (CID 69020828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).