methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate

C10H14N2O4 — CID 73121047

IUPACmethyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate
SMILESCOC(=O)NC(C(=O)OC)c1cccn1C
InChIInChI=1S/C10H14N2O4/c1-12-6-4-5-7(12)8(9(13)15-2)11-10(14)16-3/h4-6,8H,1-3H3,(H,11,14)
InChIKeyIGFXRRXFBVETBL-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.60
Rot. Bonds3

About methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate

methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate (PubChem CID 73121047) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate
PubChem CID73121047
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate
SMILESCOC(=O)NC(C(=O)OC)c1cccn1C
InChIInChI=1S/C10H14N2O4/c1-12-6-4-5-7(12)8(9(13)15-2)11-10(14)16-3/h4-6,8H,1-3H3,(H,11,14)
InChIKeyIGFXRRXFBVETBL-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-methylpyrrol-2-acetate
CID 103992
ethyl 2-(1H-pyrrol-2-yl)acetate
CID 220944
2-{[(Tert-butoxy)carbonyl]amino}-2-(pyridin-2-yl)acetic acid
CID 50999134
methyl (2S)-1-[2-(pyridine-2-carbonylamino)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 44400797
methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate
CID 127038583
Methyl 2-amino-2-(pyridin-2-YL)acetate
CID 10909919
Propionic acid, 3,3,3-trifluoro-2-(1-methyl-1H-pyrrol-2-yl)-2-(2,2,2-trifluoroacetylamino)-, methyl ester
CID 3419081
Ethyl N-methyl-2-pyrroleacetate
CID 97469
1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine-1-carboxylic acid
CID 45496475
Methyl 2-amino-2-(pyridin-2-yl)acetate hydrochloride
CID 54595785
Methyl 2-amino-2-(pyridin-2-yl)acetate dihydrochloride
CID 75530577
Potassium2-{[(tert-butoxy)carbonyl]amino}-2-(pyridin-2-yl)acetate
CID 165817239

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate?
The IUPAC name of methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate (CID 73121047) is methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate.
What is the SMILES notation for methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate?
The canonical SMILES for methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate is COC(=O)NC(C(=O)OC)c1cccn1C.
What is the InChIKey of methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate?
The InChIKey is IGFXRRXFBVETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-12-6-4-5-7(12)8(9(13)15-2)11-10(14)16-3/h4-6,8H,1-3H3,(H,11,14).
What are the key properties of methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate?
methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate has a molecular weight of 226.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate is sourced from PubChem (CID 73121047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).