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

C11H17N3O2 — CID 165490239

IUPACmethyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate
SMILESCOC(=O)C(N)C(C)n1cc(C2CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-7(10(12)11(15)16-2)14-6-9(5-13-14)8-3-4-8/h5-8,10H,3-4,12H2,1-2H3
InChIKeyNJIZIBKZINDSFK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.82
Rot. Bonds4

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

methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate (PubChem CID 165490239) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate
PubChem CID165490239
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate
SMILESCOC(=O)C(N)C(C)n1cc(C2CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-7(10(12)11(15)16-2)14-6-9(5-13-14)8-3-4-8/h5-8,10H,3-4,12H2,1-2H3
InChIKeyNJIZIBKZINDSFK-UHFFFAOYSA-N
XLogP0.82
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-(4-propylpyrazol-1-yl)butanoate
CID 165495609
2-amino-3-(4-methoxypyrazol-1-yl)butanamide
CID 165485425
methyl (2S,3R)-2-amino-3-(triazol-1-yl)butanoate
CID 99737599
methyl (2R,3S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]butanoate
CID 99737592
ethyl 2-amino-3-(4-chloropyrazol-1-yl)butanoate
CID 165485934
tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
CID 70847647
methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide
CID 124507498
methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
CID 79778645
N-methoxy-1-propan-2-ylpyrazole-4-carboxamide
CID 130683619
methyl (2S)-2-amino-3-(4-cyclopropyltriazol-1-yl)propanoate
CID 59640741

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate?
The IUPAC name of methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate (CID 165490239) is methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate.
What is the SMILES notation for methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate?
The canonical SMILES for methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate is COC(=O)C(N)C(C)n1cc(C2CC2)cn1.
What is the InChIKey of methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate?
The InChIKey is NJIZIBKZINDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(10(12)11(15)16-2)14-6-9(5-13-14)8-3-4-8/h5-8,10H,3-4,12H2,1-2H3.
What are the key properties of methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate?
methyl 2-amino-3-(4-cyclopropylpyrazol-1-yl)butanoate has a molecular weight of 223.28 g/mol, XLogP of 0.82, 4 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-cyclopropylpyrazol-1-yl)butanoate is sourced from PubChem (CID 165490239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).