2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid

C10H15N3O2 — CID 83834482

IUPAC2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCn1nc(C2CC2)cc1CC(N)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-13-7(4-8(11)10(14)15)5-9(12-13)6-2-3-6/h5-6,8H,2-4,11H2,1H3,(H,14,15)
InChIKeyBKMJUJKPFLOOIL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid

2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid (PubChem CID 83834482) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid
PubChem CID83834482
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCn1nc(C2CC2)cc1CC(N)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-13-7(4-8(11)10(14)15)5-9(12-13)6-2-3-6/h5-6,8H,2-4,11H2,1H3,(H,14,15)
InChIKeyBKMJUJKPFLOOIL-UHFFFAOYSA-N
XLogP0.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dimethyl-1H-pyrazol-5-yl)propanoic acid
CID 65876516
1H-Pyrazole-5-acetic acid, 3-cyclopropyl-1-methyl-
CID 50896801
Methyl 5-[5-(1-fluorocyclopropyl)-1-methylpyrazol-3-yl]pentanoate
CID 154683362
(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid
CID 169712391
(2S)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid
CID 169712689
2-Methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid
CID 169728211
2-Amino-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 65864498
2-Amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 65864499
2-Amino-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 65864708
2-Amino-2-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 65864709
3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]butanoic acid
CID 83389352
2-amino-3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propanoic acid
CID 83440849

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid (CID 83834482) is 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid is Cn1nc(C2CC2)cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid?
The InChIKey is BKMJUJKPFLOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-7(4-8(11)10(14)15)5-9(12-13)6-2-3-6/h5-6,8H,2-4,11H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid?
2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid is sourced from PubChem (CID 83834482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).