methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate

C11H19N3O2 — CID 165495609

IUPACmethyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate
SMILESCCCc1cnn(C(C)C(N)C(=O)OC)c1
InChIInChI=1S/C11H19N3O2/c1-4-5-9-6-13-14(7-9)8(2)10(12)11(15)16-3/h6-8,10H,4-5,12H2,1-3H3
InChIKeyLINWCIJEOPDEBN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.90
Rot. Bonds5

About methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate

methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate (PubChem CID 165495609) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate
PubChem CID165495609
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate
SMILESCCCc1cnn(C(C)C(N)C(=O)OC)c1
InChIInChI=1S/C11H19N3O2/c1-4-5-9-6-13-14(7-9)8(2)10(12)11(15)16-3/h6-8,10H,4-5,12H2,1-3H3
InChIKeyLINWCIJEOPDEBN-UHFFFAOYSA-N
XLogP0.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate
CID 165490239
ethyl 2-amino-3-(4-chloropyrazol-1-yl)butanoate
CID 165485934
methyl (2R,3S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]butanoate
CID 99737592
2-amino-3-(4-methoxypyrazol-1-yl)butanamide
CID 165485425
methyl (2S,3R)-2-amino-3-(triazol-1-yl)butanoate
CID 99737599
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
methyl 2-(4-propylphenyl)propanoate
CID 62801402
methyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]hexanoate
CID 103258279
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
methyl 2-hydroxy-3-(4-propylphenyl)butanoate
CID 66287752
N-ethyl-3-(1-pentan-3-ylpyrazol-4-yl)propan-1-amine
CID 62719656

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate?
The IUPAC name of methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate (CID 165495609) is methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate.
What is the SMILES notation for methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate?
The canonical SMILES for methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate is CCCc1cnn(C(C)C(N)C(=O)OC)c1.
What is the InChIKey of methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate?
The InChIKey is LINWCIJEOPDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-9-6-13-14(7-9)8(2)10(12)11(15)16-3/h6-8,10H,4-5,12H2,1-3H3.
What are the key properties of methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate?
methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate has a molecular weight of 225.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate is sourced from PubChem (CID 165495609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).