1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 61184167

IUPAC1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-4-13(8-9(2)3)12(17)14-7-5-6-10(14)11(15)16/h10H,2,4-8H2,1,3H3,(H,15,16)
InChIKeyCFZNSCNGLNJZMC-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.55
Rot. Bonds4

About 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61184167) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61184167
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-4-13(8-9(2)3)12(17)14-7-5-6-10(14)11(15)16/h10H,2,4-8H2,1,3H3,(H,15,16)
InChIKeyCFZNSCNGLNJZMC-UHFFFAOYSA-N
XLogP1.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369802
1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781591
(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922691
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439518
1-[butan-2-yl(ethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199849
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 55228473
(2S)-1-[ethyl(pyridin-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61449819
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119372155
(2S)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119366282

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61184167) is 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid is C=C(C)CN(CC)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CFZNSCNGLNJZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-13(8-9(2)3)12(17)14-7-5-6-10(14)11(15)16/h10H,2,4-8H2,1,3H3,(H,15,16).
What are the key properties of 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61184167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).