1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C13H25N3O3 — CID 102782672

IUPAC1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)CCCN(C)C)C1C(=O)O
InChIInChI=1S/C13H25N3O3/c1-10-6-9-16(11(10)12(17)18)13(19)15(4)8-5-7-14(2)3/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyHLYXPNGBAVXDRG-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.78
Rot. Bonds5

About 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102782672) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102782672
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)CCCN(C)C)C1C(=O)O
InChIInChI=1S/C13H25N3O3/c1-10-6-9-16(11(10)12(17)18)13(19)15(4)8-5-7-14(2)3/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyHLYXPNGBAVXDRG-UHFFFAOYSA-N
XLogP0.78
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
1-[2-(dimethylamino)ethyl-propylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782407
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782395
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782826
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782010
3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071903
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782227
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102865465
3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102783007
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782243

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102782672) is 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)N(C)CCCN(C)C)C1C(=O)O.
What is the InChIKey of 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is HLYXPNGBAVXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10-6-9-16(11(10)12(17)18)13(19)15(4)8-5-7-14(2)3/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).