3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid

C8H13N3O2 — CID 43663377

IUPAC3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
SMILESCn1nccc1CNCCC(=O)O
InChIInChI=1S/C8H13N3O2/c1-11-7(2-5-10-11)6-9-4-3-8(12)13/h2,5,9H,3-4,6H2,1H3,(H,12,13)
InChIKeyHYTGIWPROSCGHF-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.02
Rot. Bonds5

About 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid

3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid (PubChem CID 43663377) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
PubChem CID43663377
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
SMILESCn1nccc1CNCCC(=O)O
InChIInChI=1S/C8H13N3O2/c1-11-7(2-5-10-11)6-9-4-3-8(12)13/h2,5,9H,3-4,6H2,1H3,(H,12,13)
InChIKeyHYTGIWPROSCGHF-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
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

3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
CID 63302413
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
4-[(2-propan-2-ylpyrazol-3-yl)methylamino]butanoic acid
CID 170356656
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723723
2-ethyl-4-[(2-methylpyrazol-3-yl)methylamino]but-2-enoic acid
CID 103252118

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid (CID 43663377) is 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid is Cn1nccc1CNCCC(=O)O.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid?
The InChIKey is HYTGIWPROSCGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-7(2-5-10-11)6-9-4-3-8(12)13/h2,5,9H,3-4,6H2,1H3,(H,12,13).
What are the key properties of 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid?
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid has a molecular weight of 183.21 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid is sourced from PubChem (CID 43663377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).