2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid

C9H15N3O2 — CID 106758914

IUPAC2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
SMILESCC(c1ccnn1C)N(C)CC(=O)O
InChIInChI=1S/C9H15N3O2/c1-7(11(2)6-9(13)14)8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyGSQZUYVYEGTKLW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.50
Rot. Bonds4

About 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid

2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid (PubChem CID 106758914) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
PubChem CID106758914
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
SMILESCC(c1ccnn1C)N(C)CC(=O)O
InChIInChI=1S/C9H15N3O2/c1-7(11(2)6-9(13)14)8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyGSQZUYVYEGTKLW-UHFFFAOYSA-N
XLogP0.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 106758956
2-[4-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]anilino]acetic acid
CID 106758938
2-[3-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]anilino]acetic acid
CID 106758937
2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid
CID 106758947
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387
4-(2-methylpyrazol-3-yl)pentan-2-one
CID 64719612
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]acetic acid
CID 107711518
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
2-[butan-2-yl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004732
2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
CID 170825003

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid (CID 106758914) is 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid is CC(c1ccnn1C)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The InChIKey is GSQZUYVYEGTKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(11(2)6-9(13)14)8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid has a molecular weight of 197.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 106758914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).