(2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide

C10H17NO3 — CID 143654031

IUPAC(2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1OC1C)C(C)=O
InChIInChI=1S/C10H17NO3/c1-4-5-8(6(2)12)11-10(13)9-7(3)14-9/h7-9H,4-5H2,1-3H3,(H,11,13)/t7?,8-,9+/m0/s1
InChIKeyHQQOOGCZDGOWMX-SXNZSPLWSA-N
MW199.25 g/mol
LogP0.65
Rot. Bonds5

About (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide

(2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide (PubChem CID 143654031) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide
PubChem CID143654031
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1OC1C)C(C)=O
InChIInChI=1S/C10H17NO3/c1-4-5-8(6(2)12)11-10(13)9-7(3)14-9/h7-9H,4-5H2,1-3H3,(H,11,13)/t7?,8-,9+/m0/s1
InChIKeyHQQOOGCZDGOWMX-SXNZSPLWSA-N
XLogP0.65
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59124121
CID 59124121
ethane;3-(ethylamino)hexan-2-one
CID 142933892
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979
2-acetamidopentanamide
CID 23273489
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115923946
2-oxoheptan-3-ylcarbamic acid
CID 87957715
N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide
CID 104979329
methyl N-[(3R)-2-oxoheptan-3-yl]carbamate
CID 58257437
N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide
CID 174426200
N,3-dimethyloxirane-2-carboxamide;ethene
CID 159367774
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide?
The IUPAC name of (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide (CID 143654031) is (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide.
What is the SMILES notation for (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide?
The canonical SMILES for (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide is CCC[C@H](NC(=O)[C@@H]1OC1C)C(C)=O.
What is the InChIKey of (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide?
The InChIKey is HQQOOGCZDGOWMX-SXNZSPLWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-8(6(2)12)11-10(13)9-7(3)14-9/h7-9H,4-5H2,1-3H3,(H,11,13)/t7?,8-,9+/m0/s1.
What are the key properties of (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide?
(2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide is sourced from PubChem (CID 143654031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).