1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid

C10H18N2O3 — CID 63720560

IUPAC1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C(C)(C)N)CC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6-4-12(5-7(6)8(13)14)9(15)10(2,3)11/h6-7H,4-5,11H2,1-3H3,(H,13,14)
InChIKeyXTHLQLYGGMUTNP-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.10
Rot. Bonds2

About 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720560) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720560
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C(C)(C)N)CC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6-4-12(5-7(6)8(13)14)9(15)10(2,3)11/h6-7H,4-5,11H2,1-3H3,(H,13,14)
InChIKeyXTHLQLYGGMUTNP-UHFFFAOYSA-N
XLogP-0.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63720560) is 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)C(C)(C)N)CC1C(=O)O.
What is the InChIKey of 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is XTHLQLYGGMUTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-4-12(5-7(6)8(13)14)9(15)10(2,3)11/h6-7H,4-5,11H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).