2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid

C10H15N3O4 — CID 79596439

IUPAC2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
SMILESCc1c(CN(CC(=O)O)CC(=O)O)cnn1C
InChIInChI=1S/C10H15N3O4/c1-7-8(3-11-12(7)2)4-13(5-9(14)15)6-10(16)17/h3H,4-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLAGPWYDGSWGZQA-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.30
Rot. Bonds6

About 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid

2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid (PubChem CID 79596439) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
PubChem CID79596439
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
SMILESCc1c(CN(CC(=O)O)CC(=O)O)cnn1C
InChIInChI=1S/C10H15N3O4/c1-7-8(3-11-12(7)2)4-13(5-9(14)15)6-10(16)17/h3H,4-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLAGPWYDGSWGZQA-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,5-dimethylpyrazol-4-yl)methyl-ethylamino]butanoic acid
CID 79595998
methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 22196471
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22771483
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethylethane-1,2-diamine
CID 103102219
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480
4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79595785
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19456413
2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide
CID 56877731
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid
CID 106032725
2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 106037780
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid (CID 79596439) is 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid is Cc1c(CN(CC(=O)O)CC(=O)O)cnn1C.
What is the InChIKey of 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid?
The InChIKey is LAGPWYDGSWGZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7-8(3-11-12(7)2)4-13(5-9(14)15)6-10(16)17/h3H,4-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid?
2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid has a molecular weight of 241.25 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 79596439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).