methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate

C9H14N2O2 — CID 130061006

IUPACmethyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate
SMILESCOC(=O)C(C)(N)c1ccc(C)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-4-5-7(11-6)9(2,10)8(12)13-3/h4-5,11H,10H2,1-3H3
InChIKeyAWEBIDNITBGATQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.67
Rot. Bonds2

About methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate

methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate (PubChem CID 130061006) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate
PubChem CID130061006
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namemethyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate
SMILESCOC(=O)C(C)(N)c1ccc(C)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-4-5-7(11-6)9(2,10)8(12)13-3/h4-5,11H,10H2,1-3H3
InChIKeyAWEBIDNITBGATQ-UHFFFAOYSA-N
XLogP0.67
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate?
The IUPAC name of methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate (CID 130061006) is methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate is COC(=O)C(C)(N)c1ccc(C)[nH]1.
What is the InChIKey of methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate?
The InChIKey is AWEBIDNITBGATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-5-7(11-6)9(2,10)8(12)13-3/h4-5,11H,10H2,1-3H3.
What are the key properties of methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate?
methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate has a molecular weight of 182.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate is sourced from PubChem (CID 130061006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).