(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid

C8H13N3O2 — CID 83089212

IUPAC(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
SMILESCc1nn(C)cc1[C@H](N)CC(=O)O
InChIInChI=1S/C8H13N3O2/c1-5-6(4-11(2)10-5)7(9)3-8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyZETOVOLYLCXLND-SSDOTTSWSA-N
MW183.21 g/mol
LogP0.20
Rot. Bonds3

About (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid

(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid (PubChem CID 83089212) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
PubChem CID83089212
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
SMILESCc1nn(C)cc1[C@H](N)CC(=O)O
InChIInChI=1S/C8H13N3O2/c1-5-6(4-11(2)10-5)7(9)3-8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyZETOVOLYLCXLND-SSDOTTSWSA-N
XLogP0.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
(3S)-3-(1,3-dimethylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 83089458
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83093864
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102804306
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid (CID 83089212) is (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid is Cc1nn(C)cc1[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid?
The InChIKey is ZETOVOLYLCXLND-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-6(4-11(2)10-5)7(9)3-8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid?
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 83089212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).