2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid

C10H18N2O4 — CID 102783165

IUPAC2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)N1CCC(C)C1CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-3-4-12(8(6)5-13)10(16)11-7(2)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyWUXIWSNUFSBGNF-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds3

About 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid

2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 102783165) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID102783165
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)N1CCC(C)C1CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-3-4-12(8(6)5-13)10(16)11-7(2)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyWUXIWSNUFSBGNF-UHFFFAOYSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid (CID 102783165) is 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid is CC(NC(=O)N1CCC(C)C1CO)C(=O)O.
What is the InChIKey of 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is WUXIWSNUFSBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-3-4-12(8(6)5-13)10(16)11-7(2)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid?
2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 102783165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).