3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid

C11H16N2O3 — CID 102785060

IUPAC3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESC#CCNC(=O)CN1CCC(C)C1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-5-12-9(14)7-13-6-4-8(2)10(13)11(15)16/h1,8,10H,4-7H2,2H3,(H,12,14)(H,15,16)
InChIKeyOJXKMBJQJLVDJH-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.47
Rot. Bonds4

About 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 102785060) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID102785060
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESC#CCNC(=O)CN1CCC(C)C1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-5-12-9(14)7-13-6-4-8(2)10(13)11(15)16/h1,8,10H,4-7H2,2H3,(H,12,14)(H,15,16)
InChIKeyOJXKMBJQJLVDJH-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785252
2-[2-oxo-2-(prop-2-ynylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895382
2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 115313218
1-[2-(dimethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786056
1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785737
1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785249
1-but-2-ynyl-3-methylpyrrolidine-2-carboxylic acid
CID 102785800
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784243
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785701
1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785922
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 30958664
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785966

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid (CID 102785060) is 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid is C#CCNC(=O)CN1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OJXKMBJQJLVDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-5-12-9(14)7-13-6-4-8(2)10(13)11(15)16/h1,8,10H,4-7H2,2H3,(H,12,14)(H,15,16).
What are the key properties of 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).