2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid

C10H17N3O2 — CID 65067288

IUPAC2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
SMILESCC(CN(C)Cc1ccnn1C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-8(10(14)15)6-12(2)7-9-4-5-11-13(9)3/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyMLUHDCRZDKVMIO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.57
Rot. Bonds5

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

2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid (PubChem CID 65067288) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
PubChem CID65067288
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
SMILESCC(CN(C)Cc1ccnn1C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-8(10(14)15)6-12(2)7-9-4-5-11-13(9)3/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyMLUHDCRZDKVMIO-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Methyl-1H-pyrazol-1-yl)propanoic acid
CID 814994
2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 3137773
3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 776840
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
methyl 3-(3-methyl-1H-pyrazol-1-yl)propanoate
CID 786247
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
(2E)-3-{methyl[(1-methyl-1H-pyrazol-5-yl)methyl]carbamoyl}prop-2-enoic acid
CID 19616648
Methyl 2-methyl-3-(3-methylpyrazol-1-yl)propionate
CID 64467959
Methyl 2-methyl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propanoate
CID 121544674
3-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CID 43670351
3-{(2-Carboxyethyl)[2-(5-methylpyrazol-1-yl)-ethyl]amino} propionic acid
CID 34253360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid (CID 65067288) is 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid is CC(CN(C)Cc1ccnn1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is MLUHDCRZDKVMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(10(14)15)6-12(2)7-9-4-5-11-13(9)3/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid?
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 65067288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).