methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate

C14H24N2O2 — CID 79619831

IUPACmethyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
SMILESCCNC(C)c1cccn1CC(C)(C)C(=O)OC
InChIInChI=1S/C14H24N2O2/c1-6-15-11(2)12-8-7-9-16(12)10-14(3,4)13(17)18-5/h7-9,11,15H,6,10H2,1-5H3
InChIKeyZTGSLKXOJKBHSA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.36
Rot. Bonds6

About methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate

methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate (PubChem CID 79619831) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
PubChem CID79619831
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namemethyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
SMILESCCNC(C)c1cccn1CC(C)(C)C(=O)OC
InChIInChI=1S/C14H24N2O2/c1-6-15-11(2)12-8-7-9-16(12)10-14(3,4)13(17)18-5/h7-9,11,15H,6,10H2,1-5H3
InChIKeyZTGSLKXOJKBHSA-UHFFFAOYSA-N
XLogP2.36
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5Z,8Z,11Z,14Z)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide
CID 10157610
Butyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine
CID 2844014
N-cyclohexyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 11948784
3-(2-Carbamimidoylpyrrol-1-yl)propanoic acid
CID 10845113
[3-(Dimethylamino)propyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1814905
((1-methyl-1H-pyrrol-2-yl)methyl)(propan-2-yl)amine
CID 10534864
N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride
CID 11948789
N-[(1-methyl-1H-pyrrol-2-yl)methyl]cyclopentanamine
CID 834380
N-[2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 44055083
N1-ethyl-N2-(2-(1-methyl-1H-pyrrol-2-yl)-2-(pyrrolidin-1-yl)ethyl)oxalamide
CID 44059212
N'-cyclopropyl-N-[2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 44059555
3-[(Pyridin-2-ylmethyl)amino]propanoic acid
CID 16770017

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate (CID 79619831) is methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate is CCNC(C)c1cccn1CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate?
The InChIKey is ZTGSLKXOJKBHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-15-11(2)12-8-7-9-16(12)10-14(3,4)13(17)18-5/h7-9,11,15H,6,10H2,1-5H3.
What are the key properties of methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate?
methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate has a molecular weight of 252.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 79619831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).