methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate

C11H22N2O3 — CID 123911061

IUPACmethyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate
SMILESCOC(=O)NC(C(C)C)C(O)N1CCCC1
InChIInChI=1S/C11H22N2O3/c1-8(2)9(12-11(15)16-3)10(14)13-6-4-5-7-13/h8-10,14H,4-7H2,1-3H3,(H,12,15)
InChIKeyIGBFKZYZWJGNON-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.78
Rot. Bonds4

About methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate

methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate (PubChem CID 123911061) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate
PubChem CID123911061
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate
SMILESCOC(=O)NC(C(C)C)C(O)N1CCCC1
InChIInChI=1S/C11H22N2O3/c1-8(2)9(12-11(15)16-3)10(14)13-6-4-5-7-13/h8-10,14H,4-7H2,1-3H3,(H,12,15)
InChIKeyIGBFKZYZWJGNON-UHFFFAOYSA-N
XLogP0.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The IUPAC name of methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate (CID 123911061) is methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate.
What is the SMILES notation for methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The canonical SMILES for methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate is COC(=O)NC(C(C)C)C(O)N1CCCC1.
What is the InChIKey of methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The InChIKey is IGBFKZYZWJGNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)9(12-11(15)16-3)10(14)13-6-4-5-7-13/h8-10,14H,4-7H2,1-3H3,(H,12,15).
What are the key properties of methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamate is sourced from PubChem (CID 123911061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).