methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate

C11H17N3O4 — CID 163212095

IUPACmethyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate
SMILESCCOc1c(C(=O)N[C@@H](C)C(=O)OC)cnn1C
InChIInChI=1S/C11H17N3O4/c1-5-18-10-8(6-12-14(10)3)9(15)13-7(2)11(16)17-4/h6-7H,5H2,1-4H3,(H,13,15)/t7-/m0/s1
InChIKeyYORMXNLLUVOGAN-ZETCQYMHSA-N
MW255.27 g/mol
LogP0.11
Rot. Bonds5

About methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate

methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate (PubChem CID 163212095) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate
PubChem CID163212095
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate
SMILESCCOc1c(C(=O)N[C@@H](C)C(=O)OC)cnn1C
InChIInChI=1S/C11H17N3O4/c1-5-18-10-8(6-12-14(10)3)9(15)13-7(2)11(16)17-4/h6-7H,5H2,1-4H3,(H,13,15)/t7-/m0/s1
InChIKeyYORMXNLLUVOGAN-ZETCQYMHSA-N
XLogP0.11
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate (CID 163212095) is methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate is CCOc1c(C(=O)N[C@@H](C)C(=O)OC)cnn1C.
What is the InChIKey of methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate?
The InChIKey is YORMXNLLUVOGAN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-5-18-10-8(6-12-14(10)3)9(15)13-7(2)11(16)17-4/h6-7H,5H2,1-4H3,(H,13,15)/t7-/m0/s1.
What are the key properties of methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate?
methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate has a molecular weight of 255.27 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 163212095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).