1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

C13H21N3O4 — CID 106320604

IUPAC1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCNC(=O)C1(C)CCN(C(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H21N3O4/c1-12(9(17)14-2)6-7-16(8-12)11(20)15-13(10(18)19)4-3-5-13/h3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyLXTPIJLNOOQYME-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.16
Rot. Bonds3

About 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 106320604) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID106320604
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCNC(=O)C1(C)CCN(C(=O)NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H21N3O4/c1-12(9(17)14-2)6-7-16(8-12)11(20)15-13(10(18)19)4-3-5-13/h3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyLXTPIJLNOOQYME-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
CID 138056644
1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 63615862
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
(2S)-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 106320831
(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 106320575
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 106322158
1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107405645
cis-(1S,2R)-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 106317932
1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393937

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 106320604) is 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is CNC(=O)C1(C)CCN(C(=O)NC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is LXTPIJLNOOQYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-12(9(17)14-2)6-7-16(8-12)11(20)15-13(10(18)19)4-3-5-13/h3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106320604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).