2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid

C9H15N3O3 — CID 82660664

IUPAC2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
SMILESCOc1c(CC(N)C(=O)O)c(C)nn1C
InChIInChI=1S/C9H15N3O3/c1-5-6(4-7(10)9(13)14)8(15-3)12(2)11-5/h7H,4,10H2,1-3H3,(H,13,14)
InChIKeyXYJFOMJCCNDTCU-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.31
Rot. Bonds4

About 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid

2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid (PubChem CID 82660664) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
PubChem CID82660664
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
SMILESCOc1c(CC(N)C(=O)O)c(C)nn1C
InChIInChI=1S/C9H15N3O3/c1-5-6(4-7(10)9(13)14)8(15-3)12(2)11-5/h7H,4,10H2,1-3H3,(H,13,14)
InChIKeyXYJFOMJCCNDTCU-UHFFFAOYSA-N
XLogP-0.31
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419
methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate
CID 170883513
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 75484362
(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide
CID 94823326
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 115600773
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615260
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84599576
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
CID 154757430
2-(3-hydroxypropoxy)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)acetic acid
CID 113463581
2-amino-3-(1-methyldiazirin-3-yl)propanoic acid
CID 134364923

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid (CID 82660664) is 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid is COc1c(CC(N)C(=O)O)c(C)nn1C.
What is the InChIKey of 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid?
The InChIKey is XYJFOMJCCNDTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5-6(4-7(10)9(13)14)8(15-3)12(2)11-5/h7H,4,10H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid?
2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid has a molecular weight of 213.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 82660664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).