N-[[(2R)-oxiran-2-yl]methyl]butanamide

C7H13NO2 — CID 97180860

IUPACN-[[(2R)-oxiran-2-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CO1
InChIInChI=1S/C7H13NO2/c1-2-3-7(9)8-4-6-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyHADJJUAGACHKHO-ZCFIWIBFSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds4

About N-[[(2R)-oxiran-2-yl]methyl]butanamide

N-[[(2R)-oxiran-2-yl]methyl]butanamide (PubChem CID 97180860) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[[(2R)-oxiran-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(2R)-oxiran-2-yl]methyl]butanamide
PubChem CID97180860
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[[(2R)-oxiran-2-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CO1
InChIInChI=1S/C7H13NO2/c1-2-3-7(9)8-4-6-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyHADJJUAGACHKHO-ZCFIWIBFSA-N
XLogP0.30
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
CID 102548386
N-(oxiran-2-ylmethyl)-2-sulfanylacetamide
CID 174615641
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
CID 166028734
N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide
CID 146656254
molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 155741026
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
CID 71755387
N-[(4-chlorocyclohexyl)methyl]butanamide
CID 106133703
N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide
CID 90969761
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
CID 155739567
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxiran-2-yl]methyl]butanamide?
The IUPAC name of N-[[(2R)-oxiran-2-yl]methyl]butanamide (CID 97180860) is N-[[(2R)-oxiran-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[(2R)-oxiran-2-yl]methyl]butanamide?
The canonical SMILES for N-[[(2R)-oxiran-2-yl]methyl]butanamide is CCCC(=O)NC[C@@H]1CO1.
What is the InChIKey of N-[[(2R)-oxiran-2-yl]methyl]butanamide?
The InChIKey is HADJJUAGACHKHO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-7(9)8-4-6-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1.
What are the key properties of N-[[(2R)-oxiran-2-yl]methyl]butanamide?
N-[[(2R)-oxiran-2-yl]methyl]butanamide has a molecular weight of 143.19 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxiran-2-yl]methyl]butanamide is sourced from PubChem (CID 97180860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).