2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid

C8H13N3O2 — CID 106104698

IUPAC2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
SMILESCn1ccc(CCNCC(=O)O)n1
InChIInChI=1S/C8H13N3O2/c1-11-5-3-7(10-11)2-4-9-6-8(12)13/h3,5,9H,2,4,6H2,1H3,(H,12,13)
InChIKeyKTBYTICJQDSMIN-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.36
Rot. Bonds5

About 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid

2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid (PubChem CID 106104698) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
PubChem CID106104698
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
SMILESCn1ccc(CCNCC(=O)O)n1
InChIInChI=1S/C8H13N3O2/c1-11-5-3-7(10-11)2-4-9-6-8(12)13/h3,5,9H,2,4,6H2,1H3,(H,12,13)
InChIKeyKTBYTICJQDSMIN-UHFFFAOYSA-N
XLogP-0.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
CID 106104661
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
CID 106104161
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide
CID 106104820
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]benzoic acid
CID 114144038
(E)-3-[2-(1-methylpyrazol-3-yl)ethylamino]prop-2-enoic acid
CID 106105572
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106106032

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid (CID 106104698) is 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid is Cn1ccc(CCNCC(=O)O)n1.
What is the InChIKey of 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid?
The InChIKey is KTBYTICJQDSMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-5-3-7(10-11)2-4-9-6-8(12)13/h3,5,9H,2,4,6H2,1H3,(H,12,13).
What are the key properties of 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid?
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid has a molecular weight of 183.21 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid is sourced from PubChem (CID 106104698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).