2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid

C10H17N3O2 — CID 103004737

IUPAC2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
SMILESCCN(CCc1ccnn1C)CC(=O)O
InChIInChI=1S/C10H17N3O2/c1-3-13(8-10(14)15)7-5-9-4-6-11-12(9)2/h4,6H,3,5,7-8H2,1-2H3,(H,14,15)
InChIKeyHYHTUYSZDDWKKR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.37
Rot. Bonds6

About 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid

2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid (PubChem CID 103004737) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
PubChem CID103004737
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
SMILESCCN(CCc1ccnn1C)CC(=O)O
InChIInChI=1S/C10H17N3O2/c1-3-13(8-10(14)15)7-5-9-4-6-11-12(9)2/h4,6H,3,5,7-8H2,1-2H3,(H,14,15)
InChIKeyHYHTUYSZDDWKKR-UHFFFAOYSA-N
XLogP0.37
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
2-[butan-2-yl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004732
2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004720
3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015326
N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103005291
N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015265
2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
CID 114557965
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
3-amino-4-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]benzoic acid
CID 103003382
N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 103015253

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid (CID 103004737) is 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid is CCN(CCc1ccnn1C)CC(=O)O.
What is the InChIKey of 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The InChIKey is HYHTUYSZDDWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-13(8-10(14)15)7-5-9-4-6-11-12(9)2/h4,6H,3,5,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 103004737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).