(3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid

C8H14N2O4 — CID 66745544

IUPAC(3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
SMILESCCNC(=O)O[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-2-9-7(11)14-6-3-4-10(5-6)8(12)13/h6H,2-5H2,1H3,(H,9,11)(H,12,13)/t6-/m0/s1
InChIKeyQYGXAPGJONMYJK-LURJTMIESA-N
MW202.21 g/mol
LogP0.48
Rot. Bonds2

About (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid

(3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid (PubChem CID 66745544) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
PubChem CID66745544
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
SMILESCCNC(=O)O[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-2-9-7(11)14-6-3-4-10(5-6)8(12)13/h6H,2-5H2,1H3,(H,9,11)(H,12,13)/t6-/m0/s1
InChIKeyQYGXAPGJONMYJK-LURJTMIESA-N
XLogP0.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid (CID 66745544) is (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid is CCNC(=O)O[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The InChIKey is QYGXAPGJONMYJK-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O4/c1-2-9-7(11)14-6-3-4-10(5-6)8(12)13/h6H,2-5H2,1H3,(H,9,11)(H,12,13)/t6-/m0/s1.
What are the key properties of (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
(3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66745544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).