3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid

C14H25N3O4 — CID 102783007

IUPAC3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CNC(=O)CN(C)C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-9(2)7-15-11(18)8-16(4)14(21)17-6-5-10(3)12(17)13(19)20/h9-10,12H,5-8H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyGZMITMYGPUZPDX-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.61
Rot. Bonds5

About 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 102783007) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID102783007
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CNC(=O)CN(C)C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-9(2)7-15-11(18)8-16(4)14(21)17-6-5-10(3)12(17)13(19)20/h9-10,12H,5-8H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyGZMITMYGPUZPDX-UHFFFAOYSA-N
XLogP0.61
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102783011
1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782672
cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106320024
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782243
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide
CID 116657762
3-methyl-1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782518
1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 114133807
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782826
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782395
3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 102787242

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 102783007) is 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid is CC(C)CNC(=O)CN(C)C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GZMITMYGPUZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(2)7-15-11(18)8-16(4)14(21)17-6-5-10(3)12(17)13(19)20/h9-10,12H,5-8H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102783007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).