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

C10H15N3O4 — CID 106758956

IUPAC2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
SMILESCC(c1ccnn1C)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H15N3O4/c1-7(8-3-4-11-12(8)2)13(5-9(14)15)6-10(16)17/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZGQMCGRVSKQMLF-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.05
Rot. Bonds6

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

2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid (PubChem CID 106758956) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
PubChem CID106758956
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
SMILESCC(c1ccnn1C)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H15N3O4/c1-7(8-3-4-11-12(8)2)13(5-9(14)15)6-10(16)17/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZGQMCGRVSKQMLF-UHFFFAOYSA-N
XLogP-0.05
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 106758914
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-[butan-2-yl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004732
2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid
CID 106758947
4-(2-methylpyrazol-3-yl)pentan-2-one
CID 64719612
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
3-[(2-methylpyrazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926839
2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
CID 65063078
2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
CID 170825003
4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid
CID 114554584

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid (CID 106758956) is 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid is CC(c1ccnn1C)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The InChIKey is ZGQMCGRVSKQMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7(8-3-4-11-12(8)2)13(5-9(14)15)6-10(16)17/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid has a molecular weight of 241.25 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 106758956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).