methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate

C10H20N2O2 — CID 43180071

IUPACmethyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
SMILESCCN1CCCC1CNCC(=O)OC
InChIInChI=1S/C10H20N2O2/c1-3-12-6-4-5-9(12)7-11-8-10(13)14-2/h9,11H,3-8H2,1-2H3
InChIKeyNAFAGRHJGIUSOK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds5

About methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate

methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate (PubChem CID 43180071) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
PubChem CID43180071
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
SMILESCCN1CCCC1CNCC(=O)OC
InChIInChI=1S/C10H20N2O2/c1-3-12-6-4-5-9(12)7-11-8-10(13)14-2/h9,11H,3-8H2,1-2H3
InChIKeyNAFAGRHJGIUSOK-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
4-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methylbut-2-enoic acid
CID 103236006
N-cyclopropyl-N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]acetamide
CID 54957535
1-[2-[(1-ethylpyrrolidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103236027
3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
CID 43090000
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79699728
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 43180059
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 121230344
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate (CID 43180071) is methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate is CCN1CCCC1CNCC(=O)OC.
What is the InChIKey of methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate?
The InChIKey is NAFAGRHJGIUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-12-6-4-5-9(12)7-11-8-10(13)14-2/h9,11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate?
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate is sourced from PubChem (CID 43180071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).