methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate

C8H16N2O3 — CID 83907147

IUPACmethyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(N)(CCO)C1
InChIInChI=1S/C8H16N2O3/c1-13-7(12)10-4-2-8(9,6-10)3-5-11/h11H,2-6,9H2,1H3
InChIKeyFYOFBLNFWVRBKY-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.46
Rot. Bonds2

About methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate

methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate (PubChem CID 83907147) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
PubChem CID83907147
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(N)(CCO)C1
InChIInChI=1S/C8H16N2O3/c1-13-7(12)10-4-2-8(9,6-10)3-5-11/h11H,2-6,9H2,1H3
InChIKeyFYOFBLNFWVRBKY-UHFFFAOYSA-N
XLogP-0.46
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate (CID 83907147) is methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate is COC(=O)N1CCC(N)(CCO)C1.
What is the InChIKey of methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is FYOFBLNFWVRBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-13-7(12)10-4-2-8(9,6-10)3-5-11/h11H,2-6,9H2,1H3.
What are the key properties of methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 188.23 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 83907147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).