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

C10H14N2O4 — CID 67686258

IUPAC2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCc1ccc[nH]1)CC(=O)O
InChIInChI=1S/C10H14N2O4/c13-9(14)6-12(7-10(15)16)5-3-8-2-1-4-11-8/h1-2,4,11H,3,5-7H2,(H,13,14)(H,15,16)
InChIKeyUGTLBAJEGVSIQX-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.03
Rot. Bonds7

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

2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid (PubChem CID 67686258) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
PubChem CID67686258
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCc1ccc[nH]1)CC(=O)O
InChIInChI=1S/C10H14N2O4/c13-9(14)6-12(7-10(15)16)5-3-8-2-1-4-11-8/h1-2,4,11H,3,5-7H2,(H,13,14)(H,15,16)
InChIKeyUGTLBAJEGVSIQX-UHFFFAOYSA-N
XLogP0.03
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid (CID 67686258) is 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid is O=C(O)CN(CCc1ccc[nH]1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid?
The InChIKey is UGTLBAJEGVSIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-9(14)6-12(7-10(15)16)5-3-8-2-1-4-11-8/h1-2,4,11H,3,5-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid?
2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 67686258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).