N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide

C12H22N2O3 — CID 106298994

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-9-10(2-5-13-9)11(16)14-12(8-15)3-6-17-7-4-12/h9-10,13,15H,2-8H2,1H3,(H,14,16)
InChIKeyWXQZHLOFHOXORQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.36
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 106298994) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
PubChem CID106298994
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-9-10(2-5-13-9)11(16)14-12(8-15)3-6-17-7-4-12/h9-10,13,15H,2-8H2,1H3,(H,14,16)
InChIKeyWXQZHLOFHOXORQ-UHFFFAOYSA-N
XLogP-0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 113280297
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpyrrolidine-3-carboxamide
CID 106298598
cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106296979
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 104761454
N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 136531054
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide (CID 106298994) is N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is WXQZHLOFHOXORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-10(2-5-13-9)11(16)14-12(8-15)3-6-17-7-4-12/h9-10,13,15H,2-8H2,1H3,(H,14,16).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106298994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).