2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid

C8H12N2O2 — CID 83635683

IUPAC2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
SMILESO=C(O)CNCCc1ccc[nH]1
InChIInChI=1S/C8H12N2O2/c11-8(12)6-9-5-3-7-2-1-4-10-7/h1-2,4,9-10H,3,5-6H2,(H,11,12)
InChIKeyRSCKYELMQZDZAD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.23
Rot. Bonds5

About 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid

2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid (PubChem CID 83635683) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
PubChem CID83635683
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
SMILESO=C(O)CNCCc1ccc[nH]1
InChIInChI=1S/C8H12N2O2/c11-8(12)6-9-5-3-7-2-1-4-10-7/h1-2,4,9-10H,3,5-6H2,(H,11,12)
InChIKeyRSCKYELMQZDZAD-UHFFFAOYSA-N
XLogP0.23
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(1H-pyrrol-2-yl)ethylamino]methyl]butanedioic acid
CID 115144653
ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate
CID 115257497
3-oxo-3-[2-(1H-pyrrol-2-yl)ethylamino]propanoic acid
CID 115163534
4-[2-(1H-pyrrol-2-yl)ethylamino]butan-2-one
CID 115235928
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115166553
N-(2-chloroethyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 115215062
3-amino-4-oxo-4-[2-(1H-pyrrol-2-yl)ethylamino]butanoic acid
CID 115181331
methyl 2-[[2-(1H-pyrrol-2-yl)ethylamino]methyl]butanoate
CID 115253218
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propan-1-amine
CID 115215842
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162633
2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
CID 67686258
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid (CID 83635683) is 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid is O=C(O)CNCCc1ccc[nH]1.
What is the InChIKey of 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid?
The InChIKey is RSCKYELMQZDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-8(12)6-9-5-3-7-2-1-4-10-7/h1-2,4,9-10H,3,5-6H2,(H,11,12).
What are the key properties of 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid?
2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid has a molecular weight of 168.20 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid is sourced from PubChem (CID 83635683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).