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

C14H25N3O4 — CID 102783011

IUPAC3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CNC(=O)CCNC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-9(2)8-16-11(18)4-6-15-14(21)17-7-5-10(3)12(17)13(19)20/h9-10,12H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyJXKCUVZIHOFCCQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds6

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

3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 102783011) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID102783011
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CNC(=O)CCNC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-9(2)8-16-11(18)4-6-15-14(21)17-7-5-10(3)12(17)13(19)20/h9-10,12H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyJXKCUVZIHOFCCQ-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102783007
3-methyl-1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782518
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782877
3-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106004384
3-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782998
3-methyl-1-[2-(2-methylpropoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071924
1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781779
3-methyl-1-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782999
3-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102783102
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
1-(but-3-ynylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071685
3-methyl-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102781918

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 102783011) is 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid is CC(C)CNC(=O)CCNC(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JXKCUVZIHOFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(2)8-16-11(18)4-6-15-14(21)17-7-5-10(3)12(17)13(19)20/h9-10,12H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102783011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).