3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid

C9H15N3O4 — CID 106258155

IUPAC3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
SMILESCN1CCC(NC(=O)NCCC(=O)O)C1=O
InChIInChI=1S/C9H15N3O4/c1-12-5-3-6(8(12)15)11-9(16)10-4-2-7(13)14/h6H,2-5H2,1H3,(H,13,14)(H2,10,11,16)
InChIKeyJBUMLHFZJIMQRL-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.01
Rot. Bonds4

About 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid

3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid (PubChem CID 106258155) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
PubChem CID106258155
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
SMILESCN1CCC(NC(=O)NCCC(=O)O)C1=O
InChIInChI=1S/C9H15N3O4/c1-12-5-3-6(8(12)15)11-9(16)10-4-2-7(13)14/h6H,2-5H2,1H3,(H,13,14)(H2,10,11,16)
InChIKeyJBUMLHFZJIMQRL-UHFFFAOYSA-N
XLogP-1.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-Dioxoimidazolidin-1-yl)alanine
CID 3035628
3-(2-Amino-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 44331737
(3S,4S)-4-amino-1-[(4-hydroxy-4-oxo-butyl)-isopropyl-carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278237
(3S,4S)-1-(diisopropylcarbamoyl)-4-(methylamino)pyrrolidine-3-carboxylic acid
CID 5278242
(3S,4S)-1-(diisopropylcarbamoyl)-4-(dimethylcarbamoylamino)pyrrolidine-3-carboxylic acid
CID 5278245
(3S,4S)-4-(2-aminopropanoylamino)-1-(diisopropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278246
4-Amino-1-[(3-carboxy-propyl)-isopropyl-carbamoyl]-pyrrolidine-3-carboxylic acid
CID 44272322
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 3154173
3-Amino-4-oxo-4-((1-((1-pyrrolidinylcarbonyl)amino)ethyl)amino)butanoic acid
CID 382300
(5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 66908013
(5R)-5-(2-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 69962135
Ureidosuccinic acid dibutylamide
CID 129790257

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid (CID 106258155) is 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid is CN1CCC(NC(=O)NCCC(=O)O)C1=O.
What is the InChIKey of 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The InChIKey is JBUMLHFZJIMQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-12-5-3-6(8(12)15)11-9(16)10-4-2-7(13)14/h6H,2-5H2,1H3,(H,13,14)(H2,10,11,16).
What are the key properties of 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid has a molecular weight of 229.24 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 106258155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).