2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide

C12H22N2O3 — CID 78942440

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCC[C@H]1CO)NC1CCOCC1
InChIInChI=1S/C12H22N2O3/c15-9-11-2-1-5-14(11)8-12(16)13-10-3-6-17-7-4-10/h10-11,15H,1-9H2,(H,13,16)/t11-/m0/s1
InChIKeyANWTWWYXZIFXRV-NSHDSACASA-N
MW242.32 g/mol
LogP-0.26
Rot. Bonds4

About 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 78942440) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID78942440
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCC[C@H]1CO)NC1CCOCC1
InChIInChI=1S/C12H22N2O3/c15-9-11-2-1-5-14(11)8-12(16)13-10-3-6-17-7-4-10/h10-11,15H,1-9H2,(H,13,16)/t11-/m0/s1
InChIKeyANWTWWYXZIFXRV-NSHDSACASA-N
XLogP-0.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63849559
N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942456
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323248
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63099068
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
N-cycloheptyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690342
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
N-cyclopropyl-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 47075935

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide (CID 78942440) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide is O=C(CN1CCC[C@H]1CO)NC1CCOCC1.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is ANWTWWYXZIFXRV-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3/c15-9-11-2-1-5-14(11)8-12(16)13-10-3-6-17-7-4-10/h10-11,15H,1-9H2,(H,13,16)/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 78942440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).