methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate

C12H21N3O2 — CID 83088788

IUPACmethyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate
SMILESCOC(=O)C(N)Cc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-12(2,3)10-8(7-15(4)14-10)6-9(13)11(16)17-5/h7,9H,6,13H2,1-5H3
InChIKeyMEJZWMCBNHIRMF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.76
Rot. Bonds3

About methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate

methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate (PubChem CID 83088788) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate
PubChem CID83088788
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate
SMILESCOC(=O)C(N)Cc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-12(2,3)10-8(7-15(4)14-10)6-9(13)11(16)17-5/h7,9H,6,13H2,1-5H3
InChIKeyMEJZWMCBNHIRMF-UHFFFAOYSA-N
XLogP0.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate
CID 83090437
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 166224576
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 106344336
tert-butyl N-[2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103887696
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentanoic acid
CID 83094443
ethyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-oxoacetate
CID 66020599
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 83088814
2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole
CID 126581844
(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;methane;methyl (2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoate
CID 161483987
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 83089395
methyl 2-amino-3-(2,4,5-trihydroxyphenyl)propanoate
CID 170883293

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate (CID 83088788) is methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate is COC(=O)C(N)Cc1cn(C)nc1C(C)(C)C.
What is the InChIKey of methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate?
The InChIKey is MEJZWMCBNHIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)10-8(7-15(4)14-10)6-9(13)11(16)17-5/h7,9H,6,13H2,1-5H3.
What are the key properties of methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate?
methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate has a molecular weight of 239.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate is sourced from PubChem (CID 83088788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).