2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid

C14H17N3O2 — CID 65264157

IUPAC2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
SMILESCC(C)(NCc1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-14(2,13(18)19)15-10-11-8-9-17(16-11)12-6-4-3-5-7-12/h3-9,15H,10H2,1-2H3,(H,18,19)
InChIKeyXMWPLVRSSMFYFN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.83
Rot. Bonds5

About 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid

2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid (PubChem CID 65264157) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
PubChem CID65264157
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
SMILESCC(C)(NCc1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-14(2,13(18)19)15-10-11-8-9-17(16-11)12-6-4-3-5-7-12/h3-9,15H,10H2,1-2H3,(H,18,19)
InChIKeyXMWPLVRSSMFYFN-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 79790094
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
2-methyl-2-[(1-phenylpyrazol-3-yl)methyl]but-3-enoic acid
CID 102639719
N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714694
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
CID 103908798
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
(2R)-2-methoxy-2-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]acetamide
CID 100680507
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188
4-chloro-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62884987
2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
CID 62887278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid (CID 65264157) is 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid is CC(C)(NCc1ccn(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid?
The InChIKey is XMWPLVRSSMFYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,13(18)19)15-10-11-8-9-17(16-11)12-6-4-3-5-7-12/h3-9,15H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid?
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid is sourced from PubChem (CID 65264157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).