(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid

C9H15N3O2 — CID 83194398

IUPAC(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
SMILESCc1cc(CN[C@@H](C)C(=O)O)n(C)n1
InChIInChI=1S/C9H15N3O2/c1-6-4-8(12(3)11-6)5-10-7(2)9(13)14/h4,7,10H,5H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyQXMYVJDVNOGZFB-ZETCQYMHSA-N
MW197.24 g/mol
LogP0.29
Rot. Bonds4

About (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid

(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid (PubChem CID 83194398) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
PubChem CID83194398
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
SMILESCc1cc(CN[C@@H](C)C(=O)O)n(C)n1
InChIInChI=1S/C9H15N3O2/c1-6-4-8(12(3)11-6)5-10-7(2)9(13)14/h4,7,10H,5H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyQXMYVJDVNOGZFB-ZETCQYMHSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79025656
3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160757
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
2-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-ethylbutanoic acid
CID 79809719
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
(1S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410726
(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 110836656
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid?
The IUPAC name of (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid (CID 83194398) is (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid is Cc1cc(CN[C@@H](C)C(=O)O)n(C)n1.
What is the InChIKey of (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid?
The InChIKey is QXMYVJDVNOGZFB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-4-8(12(3)11-6)5-10-7(2)9(13)14/h4,7,10H,5H2,1-3H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid?
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid is sourced from PubChem (CID 83194398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).