methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate

C9H14N2O2 — CID 115128260

IUPACmethyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate
SMILESCOC(=O)C(C)(C)Nc1ccc[nH]1
InChIInChI=1S/C9H14N2O2/c1-9(2,8(12)13-3)11-7-5-4-6-10-7/h4-6,10-11H,1-3H3
InChIKeyGPKWTFVGZIFOTK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.38
Rot. Bonds3

About methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate

methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate (PubChem CID 115128260) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate
PubChem CID115128260
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namemethyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate
SMILESCOC(=O)C(C)(C)Nc1ccc[nH]1
InChIInChI=1S/C9H14N2O2/c1-9(2,8(12)13-3)11-7-5-4-6-10-7/h4-6,10-11H,1-3H3
InChIKeyGPKWTFVGZIFOTK-UHFFFAOYSA-N
XLogP1.38
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-chloroanilino)-2-methylpropanoate
CID 60990978
methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate
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methyl (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoate
CID 171240203
methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate
CID 115128312
1H-pyrrol-2-ylcarbamic acid
CID 57129797
methyl 2-methyl-2-(sulfanylamino)propanoate
CID 59695497
3-methyl-4-(1H-pyrrol-2-ylamino)butanoic acid
CID 115219718
4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide
CID 115157201
methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
CID 83528987
N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
CID 68544991
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
1-methyl-1-[(2-methylpropan-2-yl)oxy]-2-(1H-pyrrol-2-yl)hydrazine
CID 163581197

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate (CID 115128260) is methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate is COC(=O)C(C)(C)Nc1ccc[nH]1.
What is the InChIKey of methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate?
The InChIKey is GPKWTFVGZIFOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,8(12)13-3)11-7-5-4-6-10-7/h4-6,10-11H,1-3H3.
What are the key properties of methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate?
methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate has a molecular weight of 182.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate is sourced from PubChem (CID 115128260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).