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

C14H25N3O2 — CID 165496787

IUPACtert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate
SMILESCC(C)c1cnn(CC(C)(N)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H25N3O2/c1-10(2)11-7-16-17(8-11)9-14(6,15)12(18)19-13(3,4)5/h7-8,10H,9,15H2,1-6H3
InChIKeyMGXIYXWVNMULMW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.07
Rot. Bonds4

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

tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate (PubChem CID 165496787) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate
PubChem CID165496787
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate
SMILESCC(C)c1cnn(CC(C)(N)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H25N3O2/c1-10(2)11-7-16-17(8-11)9-14(6,15)12(18)19-13(3,4)5/h7-8,10H,9,15H2,1-6H3
InChIKeyMGXIYXWVNMULMW-UHFFFAOYSA-N
XLogP2.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanamide
CID 165475013
methyl 2-(4-propan-2-ylpyrazol-1-yl)acetate
CID 153333099
tert-butyl 2-amino-2-cyclopropyl-3-(4-iodopyrazol-1-yl)propanoate
CID 165496691
tert-butyl N-[2-(4-aminopyrazol-1-yl)propyl]carbamate
CID 84728085
2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid
CID 165486179
tert-butyl 2-amino-3-imidazol-1-yl-2-methylpropanoate
CID 165490503
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl (2S)-2-amino-3-(4-tert-butylphenyl)-2-methylpropanoate
CID 101249445
(2R)-1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
CID 118259045
tert-butyl 1-ethylpyrazole-4-carboxylate
CID 175447582
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)-2-methylpropanoate
CID 15433370

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate?
The IUPAC name of tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate (CID 165496787) is tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate is CC(C)c1cnn(CC(C)(N)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate?
The InChIKey is MGXIYXWVNMULMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)11-7-16-17(8-11)9-14(6,15)12(18)19-13(3,4)5/h7-8,10H,9,15H2,1-6H3.
What are the key properties of tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate?
tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate has a molecular weight of 267.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanoate is sourced from PubChem (CID 165496787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).