methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate

C9H16N2O4 — CID 103728689

IUPACmethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1CCC(C)(O)C1
InChIInChI=1S/C9H16N2O4/c1-9(14)3-4-11(6-9)5-7(12)10-8(13)15-2/h14H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyWJXCBKFEPXKLDP-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.67
Rot. Bonds2

About methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate

methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate (PubChem CID 103728689) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
PubChem CID103728689
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1CCC(C)(O)C1
InChIInChI=1S/C9H16N2O4/c1-9(14)3-4-11(6-9)5-7(12)10-8(13)15-2/h14H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyWJXCBKFEPXKLDP-UHFFFAOYSA-N
XLogP-0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103729347
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 103728551
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 103358021
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
CID 103358091
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 80703621
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanoate
CID 103729366
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
methyl N-(2-piperazin-1-ylacetyl)carbamate
CID 43162377
N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874162
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 103728804
N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728598

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate?
The IUPAC name of methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate (CID 103728689) is methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate?
The canonical SMILES for methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate is COC(=O)NC(=O)CN1CCC(C)(O)C1.
What is the InChIKey of methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate?
The InChIKey is WJXCBKFEPXKLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(14)3-4-11(6-9)5-7(12)10-8(13)15-2/h14H,3-6H2,1-2H3,(H,10,12,13).
What are the key properties of methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate?
methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate has a molecular weight of 216.24 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate is sourced from PubChem (CID 103728689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).