1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid

C13H24N2O4 — CID 81468523

IUPAC1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)(N(C)C(=O)OC(C)(C)C)CN1C
InChIInChI=1S/C13H24N2O4/c1-9-7-13(10(16)17,8-14(9)5)15(6)11(18)19-12(2,3)4/h9H,7-8H2,1-6H3,(H,16,17)
InChIKeyHJTWPGWXGVQGRG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds2

About 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid

1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid (PubChem CID 81468523) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid
PubChem CID81468523
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)(N(C)C(=O)OC(C)(C)C)CN1C
InChIInChI=1S/C13H24N2O4/c1-9-7-13(10(16)17,8-14(9)5)15(6)11(18)19-12(2,3)4/h9H,7-8H2,1-6H3,(H,16,17)
InChIKeyHJTWPGWXGVQGRG-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid (CID 81468523) is 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid is CC1CC(C(=O)O)(N(C)C(=O)OC(C)(C)C)CN1C.
What is the InChIKey of 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid?
The InChIKey is HJTWPGWXGVQGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-7-13(10(16)17,8-14(9)5)15(6)11(18)19-12(2,3)4/h9H,7-8H2,1-6H3,(H,16,17).
What are the key properties of 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid?
1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81468523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).