ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate

C10H17N3O2 — CID 103002910

IUPACethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
SMILESCCOC(=O)C(N)CCc1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-3-15-10(14)9(11)5-4-8-6-12-13(2)7-8/h6-7,9H,3-5,11H2,1-2H3
InChIKeyMWXODRFDUJXHHN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.24
Rot. Bonds5

About ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate

ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate (PubChem CID 103002910) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
PubChem CID103002910
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
SMILESCCOC(=O)C(N)CCc1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-3-15-10(14)9(11)5-4-8-6-12-13(2)7-8/h6-7,9H,3-5,11H2,1-2H3
InChIKeyMWXODRFDUJXHHN-UHFFFAOYSA-N
XLogP0.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate
CID 83040611
(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 103831501
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
ethyl 2-chloro-3-(1-methylpyrazol-4-yl)propanoate
CID 83197701
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
7-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103024124
ethyl 2-[(1-methylpyrazol-4-yl)methylamino]butanoate
CID 64668955
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate?
The IUPAC name of ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate (CID 103002910) is ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate?
The canonical SMILES for ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate is CCOC(=O)C(N)CCc1cnn(C)c1.
What is the InChIKey of ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate?
The InChIKey is MWXODRFDUJXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-15-10(14)9(11)5-4-8-6-12-13(2)7-8/h6-7,9H,3-5,11H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate?
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate has a molecular weight of 211.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate is sourced from PubChem (CID 103002910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).