ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate

C12H22N2O3 — CID 119772513

IUPACethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)NC(=O)CC1CCCN1
InChIInChI=1S/C12H22N2O3/c1-4-17-11(16)12(2,3)14-10(15)8-9-6-5-7-13-9/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyLVADNQSICSXFDY-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.59
Rot. Bonds5

About ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate

ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate (PubChem CID 119772513) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
PubChem CID119772513
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)NC(=O)CC1CCCN1
InChIInChI=1S/C12H22N2O3/c1-4-17-11(16)12(2,3)14-10(15)8-9-6-5-7-13-9/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyLVADNQSICSXFDY-UHFFFAOYSA-N
XLogP0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397
N-(2-methylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115738895
N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide
CID 122080556
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080717
N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080673
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
N-propylsulfonyl-2-pyrrolidin-2-ylacetamide
CID 103307605
N-carbamoyl-2-pyrrolidin-2-ylacetamide
CID 79195265
N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
CID 112701709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate (CID 119772513) is ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate is CCOC(=O)C(C)(C)NC(=O)CC1CCCN1.
What is the InChIKey of ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate?
The InChIKey is LVADNQSICSXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-17-11(16)12(2,3)14-10(15)8-9-6-5-7-13-9/h9,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate?
ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate is sourced from PubChem (CID 119772513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).