methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate

C13H15N3O2 — CID 29059511

IUPACmethyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate
SMILESCOC(=O)C[C@@H](N)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3O2/c1-18-13(17)7-12(14)10-8-15-16(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7,14H2,1H3/t12-/m1/s1
InChIKeyQWZQBLJHJIGGPB-GFCCVEGCSA-N
MW245.28 g/mol
LogP1.44
Rot. Bonds4

About methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate

methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate (PubChem CID 29059511) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate
PubChem CID29059511
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate
SMILESCOC(=O)C[C@@H](N)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3O2/c1-18-13(17)7-12(14)10-8-15-16(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7,14H2,1H3/t12-/m1/s1
InChIKeyQWZQBLJHJIGGPB-GFCCVEGCSA-N
XLogP1.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 43147874
ethyl 4-amino-4-(1-phenylpyrazol-4-yl)butanoate
CID 60861163
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
(3S)-3-acetamido-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 63650204
2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
CID 62541695
methanesulfonic acid;methyl 3-amino-3-phenylpropanoate
CID 86623650
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732
methyl 3-(2-chlorophenyl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanoate
CID 51336055
ethyl 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoate
CID 79367477
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate (CID 29059511) is methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate is COC(=O)C[C@@H](N)c1cnn(-c2ccccc2)c1.
What is the InChIKey of methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate?
The InChIKey is QWZQBLJHJIGGPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-13(17)7-12(14)10-8-15-16(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7,14H2,1H3/t12-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate?
methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate has a molecular weight of 245.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate is sourced from PubChem (CID 29059511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).