1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C13H23N3O4 — CID 106984299

IUPAC1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C13H23N3O4/c1-8(2)13(11(18)19)5-6-16(7-13)9(3)10(17)15-12(20)14-4/h8-9H,5-7H2,1-4H3,(H,18,19)(H2,14,15,17,20)
InChIKeySHVGHBVYZAADIX-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.26
Rot. Bonds4

About 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984299) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984299
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C13H23N3O4/c1-8(2)13(11(18)19)5-6-16(7-13)9(3)10(17)15-12(20)14-4/h8-9H,5-7H2,1-4H3,(H,18,19)(H2,14,15,17,20)
InChIKeySHVGHBVYZAADIX-UHFFFAOYSA-N
XLogP0.26
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984303
(2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(methylcarbamoyl)propanamide
CID 35425676
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide
CID 102850280
1-(1-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984147
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63341284
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63339702
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 63761122
2-ethyl-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83080884
2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 51170713

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984299) is 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CNC(=O)NC(=O)C(C)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is SHVGHBVYZAADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)13(11(18)19)5-6-16(7-13)9(3)10(17)15-12(20)14-4/h8-9H,5-7H2,1-4H3,(H,18,19)(H2,14,15,17,20).
What are the key properties of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).