(2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid

C8H14N2O4 — CID 57003311

IUPAC(2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid
SMILESCNC(=O)O[C@@H]1C[C@@H](C)N(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-5-3-6(14-7(11)9-2)4-10(5)8(12)13/h5-6H,3-4H2,1-2H3,(H,9,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyZYUSZPDIKMATKT-PHDIDXHHSA-N
MW202.21 g/mol
LogP0.48
Rot. Bonds1

About (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid

(2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid (PubChem CID 57003311) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid
PubChem CID57003311
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid
SMILESCNC(=O)O[C@@H]1C[C@@H](C)N(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-5-3-6(14-7(11)9-2)4-10(5)8(12)13/h5-6H,3-4H2,1-2H3,(H,9,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyZYUSZPDIKMATKT-PHDIDXHHSA-N
XLogP0.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid (CID 57003311) is (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid is CNC(=O)O[C@@H]1C[C@@H](C)N(C(=O)O)C1.
What is the InChIKey of (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The InChIKey is ZYUSZPDIKMATKT-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5-3-6(14-7(11)9-2)4-10(5)8(12)13/h5-6H,3-4H2,1-2H3,(H,9,11)(H,12,13)/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
(2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-(methylcarbamoyloxy)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57003311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).