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

C10H18N2O4 — CID 103729347

IUPACethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1CCC(C)(O)C1
InChIInChI=1S/C10H18N2O4/c1-3-16-9(14)11-8(13)6-12-5-4-10(2,15)7-12/h15H,3-7H2,1-2H3,(H,11,13,14)
InChIKeyYKPHQJGFABFGIP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.28
Rot. Bonds3

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

ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate (PubChem CID 103729347) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
PubChem CID103729347
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1CCC(C)(O)C1
InChIInChI=1S/C10H18N2O4/c1-3-16-9(14)11-8(13)6-12-5-4-10(2,15)7-12/h15H,3-7H2,1-2H3,(H,11,13,14)
InChIKeyYKPHQJGFABFGIP-UHFFFAOYSA-N
XLogP-0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103728689
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137328
ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate
CID 102850177
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 103728551
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 103358021
N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728598
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
CID 103358091
N-cyclopropyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728655
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 80703621

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate (CID 103729347) is ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate is CCOC(=O)NC(=O)CN1CCC(C)(O)C1.
What is the InChIKey of ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate?
The InChIKey is YKPHQJGFABFGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-16-9(14)11-8(13)6-12-5-4-10(2,15)7-12/h15H,3-7H2,1-2H3,(H,11,13,14).
What are the key properties of ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate?
ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate has a molecular weight of 230.26 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate is sourced from PubChem (CID 103729347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).