methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate

C9H14N2O2 — CID 116857108

IUPACmethyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
SMILESCOC(=O)C(c1cc[nH]c1)N(C)C
InChIInChI=1S/C9H14N2O2/c1-11(2)8(9(12)13-3)7-4-5-10-6-7/h4-6,8,10H,1-3H3
InChIKeyGGFGYRZBQQTENA-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.79
Rot. Bonds3

About methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate

methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate (PubChem CID 116857108) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
PubChem CID116857108
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namemethyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
SMILESCOC(=O)C(c1cc[nH]c1)N(C)C
InChIInChI=1S/C9H14N2O2/c1-11(2)8(9(12)13-3)7-4-5-10-6-7/h4-6,8,10H,1-3H3
InChIKeyGGFGYRZBQQTENA-UHFFFAOYSA-N
XLogP0.79
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(dimethylamino)-2-pyridin-4-ylacetate
CID 116857149
methyl 2-[amino(1H-pyrrol-3-yl)methyl]-3-methylbutanoate
CID 116946090
methyl 3-methyl-2-[methylamino(1H-pyrrol-3-yl)methyl]butanoate
CID 116960470
3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
CID 116850660
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid
CID 170443503
4-(dimethylamino)-2-methyl-4-(1H-pyrrol-3-yl)butanoic acid
CID 116908269
4-[dimethylamino(1H-pyrrol-3-yl)methyl]benzoic acid
CID 116908445
methoxy(1H-pyrrol-3-yl)methanamine
CID 116947286
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate
CID 116857090
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate?
The IUPAC name of methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate (CID 116857108) is methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate?
The canonical SMILES for methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate is COC(=O)C(c1cc[nH]c1)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate?
The InChIKey is GGFGYRZBQQTENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11(2)8(9(12)13-3)7-4-5-10-6-7/h4-6,8,10H,1-3H3.
What are the key properties of methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate?
methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate has a molecular weight of 182.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate is sourced from PubChem (CID 116857108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).